5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide

C17H21N5O2 — CID 96514288

IUPAC5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc([C@@H]2CCCN(C(=O)CCc3cccnc3)C2)[nH]n1
InChIInChI=1S/C17H21N5O2/c18-17(24)15-9-14(20-21-15)13-4-2-8-22(11-13)16(23)6-5-12-3-1-7-19-10-12/h1,3,7,9-10,13H,2,4-6,8,11H2,(H2,18,24)(H,20,21)/t13-/m1/s1
InChIKeyZUHWFPZSXQMPQF-CYBMUJFWSA-N
MW327.39 g/mol
LogP1.24
Rot. Bonds5

About 5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide

5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 96514288) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID96514288
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc([C@@H]2CCCN(C(=O)CCc3cccnc3)C2)[nH]n1
InChIInChI=1S/C17H21N5O2/c18-17(24)15-9-14(20-21-15)13-4-2-8-22(11-13)16(23)6-5-12-3-1-7-19-10-12/h1,3,7,9-10,13H,2,4-6,8,11H2,(H2,18,24)(H,20,21)/t13-/m1/s1
InChIKeyZUHWFPZSXQMPQF-CYBMUJFWSA-N
XLogP1.24
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 125012670
5-[(3S)-1-[3-(furan-2-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514274
5-[(3S)-1-(4-pyrazol-1-ylbutanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514090
5-[(3R)-1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97217776
5-[1-[3-(oxolan-2-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71871692
5-[(3S)-1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514055
3-pyridin-3-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 124553959
1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 81487520
5-[(3R)-1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514247
1-[(3S)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrrolidin-2-one
CID 99116117
3-pyridin-3-yl-1-(3-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one
CID 114289950
2-[5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126426374

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 96514288) is 5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide is NC(=O)c1cc([C@@H]2CCCN(C(=O)CCc3cccnc3)C2)[nH]n1.
What is the InChIKey of 5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is ZUHWFPZSXQMPQF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N5O2/c18-17(24)15-9-14(20-21-15)13-4-2-8-22(11-13)16(23)6-5-12-3-1-7-19-10-12/h1,3,7,9-10,13H,2,4-6,8,11H2,(H2,18,24)(H,20,21)/t13-/m1/s1.
What are the key properties of 5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 96514288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).