(5-amino-1H-pyrazol-4-yl)-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone

C20H27N5O — CID 118302763

IUPAC(5-amino-1H-pyrazol-4-yl)-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone
SMILESCC1(CN[C@@H]2CC2c2ccccc2)CCN(C(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C20H27N5O/c1-20(13-22-17-11-15(17)14-5-3-2-4-6-14)7-9-25(10-8-20)19(26)16-12-23-24-18(16)21/h2-6,12,15,17,22H,7-11,13H2,1H3,(H3,21,23,24)/t15?,17-/m1/s1
InChIKeyFWIVWIBIZXMCNC-OMOCHNIRSA-N
MW353.47 g/mol
LogP2.38
Rot. Bonds5

About (5-amino-1H-pyrazol-4-yl)-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone

(5-amino-1H-pyrazol-4-yl)-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone (PubChem CID 118302763) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is (5-amino-1H-pyrazol-4-yl)-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-1H-pyrazol-4-yl)-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone
PubChem CID118302763
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name(5-amino-1H-pyrazol-4-yl)-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone
SMILESCC1(CN[C@@H]2CC2c2ccccc2)CCN(C(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C20H27N5O/c1-20(13-22-17-11-15(17)14-5-3-2-4-6-14)7-9-25(10-8-20)19(26)16-12-23-24-18(16)21/h2-6,12,15,17,22H,7-11,13H2,1H3,(H3,21,23,24)/t15?,17-/m1/s1
InChIKeyFWIVWIBIZXMCNC-OMOCHNIRSA-N
XLogP2.38
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (5-amino-1H-pyrazol-4-yl)-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone 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

(6-aminopyridazin-3-yl)-[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone
CID 118290778
(5-amino-1H-pyrazol-4-yl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62932404
2-[1-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid
CID 118297869
5-[[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine
CID 118290921
(5-amino-1H-pyrazol-4-yl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107405918
(6-aminopyridazin-3-yl)-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone
CID 118302832
4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylic acid
CID 137422500
(5-amino-1H-pyrazol-4-yl)-(4-ethylpiperidin-1-yl)methanone
CID 61421520
N-[(3-methylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine
CID 63133645
(5-amino-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107394146
4-methyl-1-[[1-[[[(2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid
CID 155265856
[1-(2-hydroxyethyl)pyrazol-4-yl]-[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]methanone
CID 123659250

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-pyrazol-4-yl)-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone?
The IUPAC name of (5-amino-1H-pyrazol-4-yl)-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone (CID 118302763) is (5-amino-1H-pyrazol-4-yl)-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-amino-1H-pyrazol-4-yl)-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (5-amino-1H-pyrazol-4-yl)-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone is CC1(CN[C@@H]2CC2c2ccccc2)CCN(C(=O)c2cn[nH]c2N)CC1.
What is the InChIKey of (5-amino-1H-pyrazol-4-yl)-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone?
The InChIKey is FWIVWIBIZXMCNC-OMOCHNIRSA-N. The full InChI is InChI=1S/C20H27N5O/c1-20(13-22-17-11-15(17)14-5-3-2-4-6-14)7-9-25(10-8-20)19(26)16-12-23-24-18(16)21/h2-6,12,15,17,22H,7-11,13H2,1H3,(H3,21,23,24)/t15?,17-/m1/s1.
What are the key properties of (5-amino-1H-pyrazol-4-yl)-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone?
(5-amino-1H-pyrazol-4-yl)-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone has a molecular weight of 353.47 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-pyrazol-4-yl)-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 118302763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).