(6R)-6-[[[1-(4-fluorophenyl)cyclopropyl]methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H22FN5O — CID 136769197

IUPAC(6R)-6-[[[1-(4-fluorophenyl)cyclopropyl]methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2c1NC[C@@H](CNCC1(c3ccc(F)cc3)CC1)C2
InChIInChI=1S/C18H22FN5O/c19-14-3-1-13(2-4-14)18(5-6-18)11-21-7-12-8-22-17-15(16(20)25)9-23-24(17)10-12/h1-4,9,12,21-22H,5-8,10-11H2,(H2,20,25)/t12-/m1/s1
InChIKeyBLYMVPCMZLQHAZ-GFCCVEGCSA-N
MW343.41 g/mol
LogP1.48
Rot. Bonds6

About (6R)-6-[[[1-(4-fluorophenyl)cyclopropyl]methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

(6R)-6-[[[1-(4-fluorophenyl)cyclopropyl]methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 136769197) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is (6R)-6-[[[1-(4-fluorophenyl)cyclopropyl]methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name(6R)-6-[[[1-(4-fluorophenyl)cyclopropyl]methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID136769197
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Name(6R)-6-[[[1-(4-fluorophenyl)cyclopropyl]methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2c1NC[C@@H](CNCC1(c3ccc(F)cc3)CC1)C2
InChIInChI=1S/C18H22FN5O/c19-14-3-1-13(2-4-14)18(5-6-18)11-21-7-12-8-22-17-15(16(20)25)9-23-24(17)10-12/h1-4,9,12,21-22H,5-8,10-11H2,(H2,20,25)/t12-/m1/s1
InChIKeyBLYMVPCMZLQHAZ-GFCCVEGCSA-N
XLogP1.48
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-6-[[3-(2-fluorophenoxy)propylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136727618
(6S)-6-[[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136727612
(6S)-6-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136811502
(6R)-6-[[[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136872646
(6R)-6-[[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136727602
(6S)-6-[[[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136817521
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]ethanamine
CID 62594197
2-(cyclopropylmethylamino)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide;hydrochloride
CID 119731159
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 42266064
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-pyrazol-1-ylbenzamide
CID 87004293
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443732
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110478929

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[[[1-(4-fluorophenyl)cyclopropyl]methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of (6R)-6-[[[1-(4-fluorophenyl)cyclopropyl]methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 136769197) is (6R)-6-[[[1-(4-fluorophenyl)cyclopropyl]methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for (6R)-6-[[[1-(4-fluorophenyl)cyclopropyl]methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for (6R)-6-[[[1-(4-fluorophenyl)cyclopropyl]methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1cnn2c1NC[C@@H](CNCC1(c3ccc(F)cc3)CC1)C2.
What is the InChIKey of (6R)-6-[[[1-(4-fluorophenyl)cyclopropyl]methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BLYMVPCMZLQHAZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H22FN5O/c19-14-3-1-13(2-4-14)18(5-6-18)11-21-7-12-8-22-17-15(16(20)25)9-23-24(17)10-12/h1-4,9,12,21-22H,5-8,10-11H2,(H2,20,25)/t12-/m1/s1.
What are the key properties of (6R)-6-[[[1-(4-fluorophenyl)cyclopropyl]methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
(6R)-6-[[[1-(4-fluorophenyl)cyclopropyl]methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[[[1-(4-fluorophenyl)cyclopropyl]methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136769197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).