(1S,2R,4S)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide

C18H22N4O — CID 98750681

IUPAC(1S,2R,4S)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1ccn(CCc2ccncc2)n1)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C18H22N4O/c23-18(16-12-14-1-2-15(16)11-14)20-17-6-10-22(21-17)9-5-13-3-7-19-8-4-13/h3-4,6-8,10,14-16H,1-2,5,9,11-12H2,(H,20,21,23)/t14-,15-,16+/m0/s1
InChIKeyOAUQTDQPWBXBTJ-HRCADAONSA-N
MW310.40 g/mol
LogP2.90
Rot. Bonds5

About (1S,2R,4S)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide

(1S,2R,4S)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 98750681) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is (1S,2R,4S)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,2R,4S)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID98750681
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name(1S,2R,4S)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1ccn(CCc2ccncc2)n1)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C18H22N4O/c23-18(16-12-14-1-2-15(16)11-14)20-17-6-10-22(21-17)9-5-13-3-7-19-8-4-13/h3-4,6-8,10,14-16H,1-2,5,9,11-12H2,(H,20,21,23)/t14-,15-,16+/m0/s1
InChIKeyOAUQTDQPWBXBTJ-HRCADAONSA-N
XLogP2.90
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119871314
3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119871312
(1S,2S,4S)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98730671
(2R)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]piperidine-2-carboxamide;dihydrochloride
CID 119871304
(2R,4S)-4-fluoro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide
CID 154802243
N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]morpholine-3-carboxamide
CID 119871307
1-hydroxy-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide
CID 110924173
N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]morpholine-2-carboxamide
CID 119871345
2-(1-hydroxycyclohexyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide
CID 111332045
2-amino-2-(oxan-4-yl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide
CID 120799514
N-[4-(2-bromoethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 114310290
2-hydroxy-2-phenyl-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide
CID 111432604

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,2R,4S)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide (CID 98750681) is (1S,2R,4S)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,2R,4S)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,2R,4S)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide is O=C(Nc1ccn(CCc2ccncc2)n1)[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (1S,2R,4S)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is OAUQTDQPWBXBTJ-HRCADAONSA-N. The full InChI is InChI=1S/C18H22N4O/c23-18(16-12-14-1-2-15(16)11-14)20-17-6-10-22(21-17)9-5-13-3-7-19-8-4-13/h3-4,6-8,10,14-16H,1-2,5,9,11-12H2,(H,20,21,23)/t14-,15-,16+/m0/s1.
What are the key properties of (1S,2R,4S)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide?
(1S,2R,4S)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 98750681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).