(2R,3S,7S)-3-cyclopropyl-6-(5-ethenyl-1H-pyrazol-4-yl)-5-methyl-4-azatricyclo[6.2.1.02,7]undec-5-ene

C19H25N3 — CID 162431168

IUPAC(2R,3S,7S)-3-cyclopropyl-6-(5-ethenyl-1H-pyrazol-4-yl)-5-methyl-4-azatricyclo[6.2.1.02,7]undec-5-ene
SMILESC=Cc1[nH]ncc1C1=C(C)N[C@@H](C2CC2)[C@@H]2C3CCC(C3)[C@H]12
InChIInChI=1S/C19H25N3/c1-3-15-14(9-20-22-15)16-10(2)21-19(11-4-5-11)18-13-7-6-12(8-13)17(16)18/h3,9,11-13,17-19,21H,1,4-8H2,2H3,(H,20,22)/t12?,13?,17-,18-,19+/m1/s1
InChIKeySZQGQWIZAVFIMT-PVGPYMSOSA-N
MW295.43 g/mol
LogP3.83
Rot. Bonds3

About (2R,3S,7S)-3-cyclopropyl-6-(5-ethenyl-1H-pyrazol-4-yl)-5-methyl-4-azatricyclo[6.2.1.02,7]undec-5-ene

(2R,3S,7S)-3-cyclopropyl-6-(5-ethenyl-1H-pyrazol-4-yl)-5-methyl-4-azatricyclo[6.2.1.02,7]undec-5-ene (PubChem CID 162431168) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is (2R,3S,7S)-3-cyclopropyl-6-(5-ethenyl-1H-pyrazol-4-yl)-5-methyl-4-azatricyclo[6.2.1.02,7]undec-5-ene.

Molecular Properties

Compound Name(2R,3S,7S)-3-cyclopropyl-6-(5-ethenyl-1H-pyrazol-4-yl)-5-methyl-4-azatricyclo[6.2.1.02,7]undec-5-ene
PubChem CID162431168
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name(2R,3S,7S)-3-cyclopropyl-6-(5-ethenyl-1H-pyrazol-4-yl)-5-methyl-4-azatricyclo[6.2.1.02,7]undec-5-ene
SMILESC=Cc1[nH]ncc1C1=C(C)N[C@@H](C2CC2)[C@@H]2C3CCC(C3)[C@H]12
InChIInChI=1S/C19H25N3/c1-3-15-14(9-20-22-15)16-10(2)21-19(11-4-5-11)18-13-7-6-12(8-13)17(16)18/h3,9,11-13,17-19,21H,1,4-8H2,2H3,(H,20,22)/t12?,13?,17-,18-,19+/m1/s1
InChIKeySZQGQWIZAVFIMT-PVGPYMSOSA-N
XLogP3.83
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

5-(5-methyl-1H-pyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
CID 117958957
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CID 141282633
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-phenylcyclohexan-1-amine
CID 43435374
1-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 54896895
1-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 56820904
1-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylmethanamine
CID 56820905
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-9H-fluoren-9-amine
CID 61004066
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]methanamine
CID 61242336
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenylcyclopropan-1-amine
CID 61686912
3-(3-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclobutan-1-amine
CID 62038342
3-(2-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclobutan-1-amine
CID 62038344
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 62038770

Frequently Asked Questions

What is the IUPAC name of (2R,3S,7S)-3-cyclopropyl-6-(5-ethenyl-1H-pyrazol-4-yl)-5-methyl-4-azatricyclo[6.2.1.02,7]undec-5-ene?
The IUPAC name of (2R,3S,7S)-3-cyclopropyl-6-(5-ethenyl-1H-pyrazol-4-yl)-5-methyl-4-azatricyclo[6.2.1.02,7]undec-5-ene (CID 162431168) is (2R,3S,7S)-3-cyclopropyl-6-(5-ethenyl-1H-pyrazol-4-yl)-5-methyl-4-azatricyclo[6.2.1.02,7]undec-5-ene.
What is the SMILES notation for (2R,3S,7S)-3-cyclopropyl-6-(5-ethenyl-1H-pyrazol-4-yl)-5-methyl-4-azatricyclo[6.2.1.02,7]undec-5-ene?
The canonical SMILES for (2R,3S,7S)-3-cyclopropyl-6-(5-ethenyl-1H-pyrazol-4-yl)-5-methyl-4-azatricyclo[6.2.1.02,7]undec-5-ene is C=Cc1[nH]ncc1C1=C(C)N[C@@H](C2CC2)[C@@H]2C3CCC(C3)[C@H]12.
What is the InChIKey of (2R,3S,7S)-3-cyclopropyl-6-(5-ethenyl-1H-pyrazol-4-yl)-5-methyl-4-azatricyclo[6.2.1.02,7]undec-5-ene?
The InChIKey is SZQGQWIZAVFIMT-PVGPYMSOSA-N. The full InChI is InChI=1S/C19H25N3/c1-3-15-14(9-20-22-15)16-10(2)21-19(11-4-5-11)18-13-7-6-12(8-13)17(16)18/h3,9,11-13,17-19,21H,1,4-8H2,2H3,(H,20,22)/t12?,13?,17-,18-,19+/m1/s1.
What are the key properties of (2R,3S,7S)-3-cyclopropyl-6-(5-ethenyl-1H-pyrazol-4-yl)-5-methyl-4-azatricyclo[6.2.1.02,7]undec-5-ene?
(2R,3S,7S)-3-cyclopropyl-6-(5-ethenyl-1H-pyrazol-4-yl)-5-methyl-4-azatricyclo[6.2.1.02,7]undec-5-ene has a molecular weight of 295.43 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,7S)-3-cyclopropyl-6-(5-ethenyl-1H-pyrazol-4-yl)-5-methyl-4-azatricyclo[6.2.1.02,7]undec-5-ene is sourced from PubChem (CID 162431168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).