[1-(2-ethylbutyl)-4-[(1-methylpyrazol-3-yl)amino]piperidin-4-yl]-pyrrolidin-1-ylmethanone

C20H35N5O — CID 155871243

IUPAC[1-(2-ethylbutyl)-4-[(1-methylpyrazol-3-yl)amino]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCCC(CC)CN1CCC(Nc2ccn(C)n2)(C(=O)N2CCCC2)CC1
InChIInChI=1S/C20H35N5O/c1-4-17(5-2)16-24-14-9-20(10-15-24,19(26)25-11-6-7-12-25)21-18-8-13-23(3)22-18/h8,13,17H,4-7,9-12,14-16H2,1-3H3,(H,21,22)
InChIKeyQBNSPQYTZUYXBT-UHFFFAOYSA-N
MW361.53 g/mol
LogP2.73
Rot. Bonds7

About [1-(2-ethylbutyl)-4-[(1-methylpyrazol-3-yl)amino]piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-(2-ethylbutyl)-4-[(1-methylpyrazol-3-yl)amino]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 155871243) has the molecular formula C20H35N5O and a molecular weight of 361.53 g/mol. Its IUPAC name is [1-(2-ethylbutyl)-4-[(1-methylpyrazol-3-yl)amino]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2-ethylbutyl)-4-[(1-methylpyrazol-3-yl)amino]piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID155871243
Molecular FormulaC20H35N5O
Molecular Weight361.53 g/mol
Exact Mass361.28
IUPAC Name[1-(2-ethylbutyl)-4-[(1-methylpyrazol-3-yl)amino]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCCC(CC)CN1CCC(Nc2ccn(C)n2)(C(=O)N2CCCC2)CC1
InChIInChI=1S/C20H35N5O/c1-4-17(5-2)16-24-14-9-20(10-15-24,19(26)25-11-6-7-12-25)21-18-8-13-23(3)22-18/h8,13,17H,4-7,9-12,14-16H2,1-3H3,(H,21,22)
InChIKeyQBNSPQYTZUYXBT-UHFFFAOYSA-N
XLogP2.73
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(2-ethylbutyl)-4-[(1-methylpyrazol-3-yl)amino]piperidin-4-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

1-(2-ethylbutyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155871558
[4-[(1-methylpyrazol-3-yl)amino]-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 155873989
[4-[(1-methylpyrazol-3-yl)amino]-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-(1,3-oxazol-4-yl)methanone
CID 155876770
1-(1-methylpyrazol-3-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 60617048
1-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155872962
N-methyl-4-[(1-methylpyrazol-3-yl)amino]-1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxamide
CID 155873523
N-methyl-4-[(1-methylpyrazol-3-yl)amino]-1-(3-methylsulfonylpropanoyl)piperidine-4-carboxamide
CID 155872749
N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide
CID 131036172
1-(furan-3-ylmethyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155877770
N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155878996
1-(5,6-dimethylpyrimidine-4-carbonyl)-N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155878559
1-(cyclopent-3-ene-1-carbonyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155872456

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylbutyl)-4-[(1-methylpyrazol-3-yl)amino]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(2-ethylbutyl)-4-[(1-methylpyrazol-3-yl)amino]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 155871243) is [1-(2-ethylbutyl)-4-[(1-methylpyrazol-3-yl)amino]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(2-ethylbutyl)-4-[(1-methylpyrazol-3-yl)amino]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(2-ethylbutyl)-4-[(1-methylpyrazol-3-yl)amino]piperidin-4-yl]-pyrrolidin-1-ylmethanone is CCC(CC)CN1CCC(Nc2ccn(C)n2)(C(=O)N2CCCC2)CC1.
What is the InChIKey of [1-(2-ethylbutyl)-4-[(1-methylpyrazol-3-yl)amino]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is QBNSPQYTZUYXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O/c1-4-17(5-2)16-24-14-9-20(10-15-24,19(26)25-11-6-7-12-25)21-18-8-13-23(3)22-18/h8,13,17H,4-7,9-12,14-16H2,1-3H3,(H,21,22).
What are the key properties of [1-(2-ethylbutyl)-4-[(1-methylpyrazol-3-yl)amino]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(2-ethylbutyl)-4-[(1-methylpyrazol-3-yl)amino]piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 361.53 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylbutyl)-4-[(1-methylpyrazol-3-yl)amino]piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 155871243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).