cyclopropyl-[3-[4-[2-(2-methylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone

C20H27N5O — CID 118739901

IUPACcyclopropyl-[3-[4-[2-(2-methylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
SMILESCC(C)CNc1cc(-c2cn[nH]c2C2CCN(C(=O)C3CC3)C2)ccn1
InChIInChI=1S/C20H27N5O/c1-13(2)10-22-18-9-15(5-7-21-18)17-11-23-24-19(17)16-6-8-25(12-16)20(26)14-3-4-14/h5,7,9,11,13-14,16H,3-4,6,8,10,12H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyPRBRDZKKZYGTDP-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.27
Rot. Bonds6

About cyclopropyl-[3-[4-[2-(2-methylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone

cyclopropyl-[3-[4-[2-(2-methylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone (PubChem CID 118739901) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is cyclopropyl-[3-[4-[2-(2-methylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-[4-[2-(2-methylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
PubChem CID118739901
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Namecyclopropyl-[3-[4-[2-(2-methylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
SMILESCC(C)CNc1cc(-c2cn[nH]c2C2CCN(C(=O)C3CC3)C2)ccn1
InChIInChI=1S/C20H27N5O/c1-13(2)10-22-18-9-15(5-7-21-18)17-11-23-24-19(17)16-6-8-25(12-16)20(26)14-3-4-14/h5,7,9,11,13-14,16H,3-4,6,8,10,12H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyPRBRDZKKZYGTDP-UHFFFAOYSA-N
XLogP3.27
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cyclopropyl-[3-[4-[2-(2-methylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

cyclobutyl-[(3S)-3-[4-[2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
CID 125017164
cyclobutyl-[(3R)-3-[4-[2-(2,2-dimethylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
CID 125025716
1-[(3S)-3-[4-[2-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 125007095
1-[(3S)-3-[4-[2-[(2-methoxy-4-methylphenyl)methylamino]-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 124996091
N-[(3,4-dimethylphenyl)methyl]-4-[5-(1-methylpyrrolidin-3-yl)-1H-pyrazol-4-yl]pyridin-2-amine
CID 110130460
[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 124962428
3-[4-[2-[(4-fluorophenyl)methylamino]-4-pyridinyl]-1H-pyrazol-5-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 110130458
4-[5-(1-methylpyrrolidin-3-yl)-1H-pyrazol-4-yl]pyridin-2-amine
CID 73439374
(3R)-N,N-dimethyl-3-[4-[2-[(2-methylphenyl)methylamino]-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidine-1-sulfonamide
CID 125027248
4-(5-cyclopropyl-1H-pyrazol-4-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 42635126
N-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 95201886
(3S)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 95821027

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-[4-[2-(2-methylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-[4-[2-(2-methylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone (CID 118739901) is cyclopropyl-[3-[4-[2-(2-methylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-[4-[2-(2-methylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-[4-[2-(2-methylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone is CC(C)CNc1cc(-c2cn[nH]c2C2CCN(C(=O)C3CC3)C2)ccn1.
What is the InChIKey of cyclopropyl-[3-[4-[2-(2-methylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone?
The InChIKey is PRBRDZKKZYGTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-13(2)10-22-18-9-15(5-7-21-18)17-11-23-24-19(17)16-6-8-25(12-16)20(26)14-3-4-14/h5,7,9,11,13-14,16H,3-4,6,8,10,12H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of cyclopropyl-[3-[4-[2-(2-methylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone?
cyclopropyl-[3-[4-[2-(2-methylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone has a molecular weight of 353.47 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-[4-[2-(2-methylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 118739901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).