cis-(1S,2R)-N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide

C19H18N4O — CID 94388476

IUPACcis-(1S,2R)-N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESO=C(NCc1cnn(-c2ccccc2)c1)[C@H]1C[C@H]1c1cccnc1
InChIInChI=1S/C19H18N4O/c24-19(18-9-17(18)15-5-4-8-20-12-15)21-10-14-11-22-23(13-14)16-6-2-1-3-7-16/h1-8,11-13,17-18H,9-10H2,(H,21,24)/t17-,18-/m0/s1
InChIKeyBJRKIFKRXYVWAD-ROUUACIJSA-N
MW318.38 g/mol
LogP2.69
Rot. Bonds5

About cis-(1S,2R)-N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide

cis-(1S,2R)-N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 94388476) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is cis-(1S,2R)-N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
PubChem CID94388476
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Namecis-(1S,2R)-N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESO=C(NCc1cnn(-c2ccccc2)c1)[C@H]1C[C@H]1c1cccnc1
InChIInChI=1S/C19H18N4O/c24-19(18-9-17(18)15-5-4-8-20-12-15)21-10-14-11-22-23(13-14)16-6-2-1-3-7-16/h1-8,11-13,17-18H,9-10H2,(H,21,24)/t17-,18-/m0/s1
InChIKeyBJRKIFKRXYVWAD-ROUUACIJSA-N
XLogP2.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1S,2R)-N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-phenylpyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60790945
sodium cis-(1R,4S)-2,3-dimethyl-4-[(1-phenylpyrazol-4-yl)methylcarbamoyl]cyclobutane-1-carboxylate
CID 166323366
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 66008582
N-[(1-phenylpyrazol-4-yl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754244
2-(2-chlorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
CID 134000864
cis-(1S,2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 98728827
cis-(1S,2R)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 98787032
1-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 99792880
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 71882970
cis-(1R,2S)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 97222508
(3R)-1-benzyl-5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 42032570
2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
CID 39058604

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide (CID 94388476) is cis-(1S,2R)-N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide is O=C(NCc1cnn(-c2ccccc2)c1)[C@H]1C[C@H]1c1cccnc1.
What is the InChIKey of cis-(1S,2R)-N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The InChIKey is BJRKIFKRXYVWAD-ROUUACIJSA-N. The full InChI is InChI=1S/C19H18N4O/c24-19(18-9-17(18)15-5-4-8-20-12-15)21-10-14-11-22-23(13-14)16-6-2-1-3-7-16/h1-8,11-13,17-18H,9-10H2,(H,21,24)/t17-,18-/m0/s1.
What are the key properties of cis-(1S,2R)-N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 94388476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).