N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-propylpyrazol-4-amine

C15H20FN3 — CID 99825558

IUPACN-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-propylpyrazol-4-amine
SMILESCCCn1cc(N[C@@H](C)Cc2ccccc2F)cn1
InChIInChI=1S/C15H20FN3/c1-3-8-19-11-14(10-17-19)18-12(2)9-13-6-4-5-7-15(13)16/h4-7,10-12,18H,3,8-9H2,1-2H3/t12-/m0/s1
InChIKeyHMJPBMGOPUOLRH-LBPRGKRZSA-N
MW261.34 g/mol
LogP3.48
Rot. Bonds6

About N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-propylpyrazol-4-amine

N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-propylpyrazol-4-amine (PubChem CID 99825558) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-propylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-propylpyrazol-4-amine
PubChem CID99825558
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC NameN-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-propylpyrazol-4-amine
SMILESCCCn1cc(N[C@@H](C)Cc2ccccc2F)cn1
InChIInChI=1S/C15H20FN3/c1-3-8-19-11-14(10-17-19)18-12(2)9-13-6-4-5-7-15(13)16/h4-7,10-12,18H,3,8-9H2,1-2H3/t12-/m0/s1
InChIKeyHMJPBMGOPUOLRH-LBPRGKRZSA-N
XLogP3.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-pentan-2-yl-1-propylpyrazol-4-amine
CID 115921377
1-propyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrazol-4-amine
CID 97309859
1-propyl-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]pyrazol-4-amine
CID 97342085
2-[(4S)-4-[(1-propylpyrazol-4-yl)amino]pentyl]isoindole-1,3-dione
CID 97338517
2-[4-[(1-propylpyrazol-4-yl)amino]pentyl]isoindole-1,3-dione
CID 75446840
N-[(2S)-1-methoxypropan-2-yl]-1-propylpyrazol-4-amine
CID 97338513
N-[(2R)-1-(3,4-difluorophenoxy)propan-2-yl]-1-propylpyrazol-4-amine
CID 97338534
N-(1-cyclopropylpropan-2-yl)-1-propylpyrazol-4-amine
CID 115921375
[4-[1-(2-fluorophenyl)propan-2-ylamino]phenyl]methanol
CID 114830703
N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-propylpyrazol-4-amine
CID 97338512
1-ethyl-N-[1-(4-fluorophenyl)propan-2-yl]pyrazol-4-amine
CID 115922678
2-[4-[4-(2-fluorophenyl)butan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017479

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-propylpyrazol-4-amine?
The IUPAC name of N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-propylpyrazol-4-amine (CID 99825558) is N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-propylpyrazol-4-amine.
What is the SMILES notation for N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-propylpyrazol-4-amine?
The canonical SMILES for N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-propylpyrazol-4-amine is CCCn1cc(N[C@@H](C)Cc2ccccc2F)cn1.
What is the InChIKey of N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-propylpyrazol-4-amine?
The InChIKey is HMJPBMGOPUOLRH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20FN3/c1-3-8-19-11-14(10-17-19)18-12(2)9-13-6-4-5-7-15(13)16/h4-7,10-12,18H,3,8-9H2,1-2H3/t12-/m0/s1.
What are the key properties of N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-propylpyrazol-4-amine?
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-propylpyrazol-4-amine has a molecular weight of 261.34 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-propylpyrazol-4-amine is sourced from PubChem (CID 99825558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).