1-ethyl-3-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-5-carboxamide

C19H28N6O — CID 56887725

IUPAC1-ethyl-3-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-5-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C19H28N6O/c1-4-25-17(12-16(23-25)11-14(2)3)18(26)22-15-7-5-10-24(13-15)19-20-8-6-9-21-19/h6,8-9,12,14-15H,4-5,7,10-11,13H2,1-3H3,(H,22,26)
InChIKeyCIOJEGLRCXHBJD-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.29
Rot. Bonds6

About 1-ethyl-3-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-5-carboxamide

1-ethyl-3-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-5-carboxamide (PubChem CID 56887725) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-ethyl-3-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-5-carboxamide
PubChem CID56887725
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name1-ethyl-3-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-5-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C19H28N6O/c1-4-25-17(12-16(23-25)11-14(2)3)18(26)22-15-7-5-10-24(13-15)19-20-8-6-9-21-19/h6,8-9,12,14-15H,4-5,7,10-11,13H2,1-3H3,(H,22,26)
InChIKeyCIOJEGLRCXHBJD-UHFFFAOYSA-N
XLogP2.29
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-6-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidine-4-carboxamide
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N-butan-2-yl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)carbamoylamino]propanamide
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(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
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1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxopyrrolidin-3-yl]pyrazole-5-carboxamide
CID 97136741
1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxoazepan-3-yl]pyrazole-5-carboxamide
CID 95127727
(2S,3S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pentanamide
CID 61179360
(2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 119857933
1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea
CID 94122854
2-(aminomethyl)-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 65224744
3-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide;dihydrochloride
CID 120503187
3-methylsulfanyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-3-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-5-carboxamide (CID 56887725) is 1-ethyl-3-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-3-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-3-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-5-carboxamide is CCn1nc(CC(C)C)cc1C(=O)NC1CCCN(c2ncccn2)C1.
What is the InChIKey of 1-ethyl-3-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-5-carboxamide?
The InChIKey is CIOJEGLRCXHBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-4-25-17(12-16(23-25)11-14(2)3)18(26)22-15-7-5-10-24(13-15)19-20-8-6-9-21-19/h6,8-9,12,14-15H,4-5,7,10-11,13H2,1-3H3,(H,22,26).
What are the key properties of 1-ethyl-3-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-5-carboxamide?
1-ethyl-3-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-5-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 56887725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).