(2S)-1-(cyclopropanecarbonyl)-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyrrolidine-2-carboxamide

C18H27N5O2 — CID 134696692

IUPAC(2S)-1-(cyclopropanecarbonyl)-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyrrolidine-2-carboxamide
SMILESCN1CCC(n2nccc2NC(=O)[C@@H]2CCCN2C(=O)C2CC2)CC1
InChIInChI=1S/C18H27N5O2/c1-21-11-7-14(8-12-21)23-16(6-9-19-23)20-17(24)15-3-2-10-22(15)18(25)13-4-5-13/h6,9,13-15H,2-5,7-8,10-12H2,1H3,(H,20,24)/t15-/m0/s1
InChIKeyAJQOGZNQXSNNLR-HNNXBMFYSA-N
MW345.45 g/mol
LogP1.49
Rot. Bonds4

About (2S)-1-(cyclopropanecarbonyl)-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyrrolidine-2-carboxamide

(2S)-1-(cyclopropanecarbonyl)-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyrrolidine-2-carboxamide (PubChem CID 134696692) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is (2S)-1-(cyclopropanecarbonyl)-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(cyclopropanecarbonyl)-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyrrolidine-2-carboxamide
PubChem CID134696692
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name(2S)-1-(cyclopropanecarbonyl)-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyrrolidine-2-carboxamide
SMILESCN1CCC(n2nccc2NC(=O)[C@@H]2CCCN2C(=O)C2CC2)CC1
InChIInChI=1S/C18H27N5O2/c1-21-11-7-14(8-12-21)23-16(6-9-19-23)20-17(24)15-3-2-10-22(15)18(25)13-4-5-13/h6,9,13-15H,2-5,7-8,10-12H2,1H3,(H,20,24)/t15-/m0/s1
InChIKeyAJQOGZNQXSNNLR-HNNXBMFYSA-N
XLogP1.49
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 56746743
1-(cyclopropanecarbonyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidine-2-carboxamide
CID 154858293
1-(cyclopropanecarbonyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170919
N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 134709113
(2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110286201
2-methoxy-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 24817787
N-[2-[1-[(2S)-spiro[2.5]octane-2-carbonyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 42245735
N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-2-(oxan-3-yl)acetamide
CID 134702651
2-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 71145215
N-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 24818917
N-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 24819283
N-[2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 24819134

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclopropanecarbonyl)-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(cyclopropanecarbonyl)-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyrrolidine-2-carboxamide (CID 134696692) is (2S)-1-(cyclopropanecarbonyl)-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(cyclopropanecarbonyl)-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(cyclopropanecarbonyl)-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyrrolidine-2-carboxamide is CN1CCC(n2nccc2NC(=O)[C@@H]2CCCN2C(=O)C2CC2)CC1.
What is the InChIKey of (2S)-1-(cyclopropanecarbonyl)-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is AJQOGZNQXSNNLR-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-21-11-7-14(8-12-21)23-16(6-9-19-23)20-17(24)15-3-2-10-22(15)18(25)13-4-5-13/h6,9,13-15H,2-5,7-8,10-12H2,1H3,(H,20,24)/t15-/m0/s1.
What are the key properties of (2S)-1-(cyclopropanecarbonyl)-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyrrolidine-2-carboxamide?
(2S)-1-(cyclopropanecarbonyl)-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclopropanecarbonyl)-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 134696692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).