N-[2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide

C17H30N4O — CID 51871995

IUPACN-[2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NC(C)(C)CN2CCC[C@@H](C)C2)n[nH]1
InChIInChI=1S/C17H30N4O/c1-5-7-14-10-15(20-19-14)16(22)18-17(3,4)12-21-9-6-8-13(2)11-21/h10,13H,5-9,11-12H2,1-4H3,(H,18,22)(H,19,20)/t13-/m1/s1
InChIKeyXMNZDSKVYCXCMD-CYBMUJFWSA-N
MW306.45 g/mol
LogP2.60
Rot. Bonds6

About N-[2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide

N-[2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 51871995) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID51871995
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC NameN-[2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NC(C)(C)CN2CCC[C@@H](C)C2)n[nH]1
InChIInChI=1S/C17H30N4O/c1-5-7-14-10-15(20-19-14)16(22)18-17(3,4)12-21-9-6-8-13(2)11-21/h10,13H,5-9,11-12H2,1-4H3,(H,18,22)(H,19,20)/t13-/m1/s1
InChIKeyXMNZDSKVYCXCMD-CYBMUJFWSA-N
XLogP2.60
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide (CID 51871995) is N-[2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)NC(C)(C)CN2CCC[C@@H](C)C2)n[nH]1.
What is the InChIKey of N-[2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is XMNZDSKVYCXCMD-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H30N4O/c1-5-7-14-10-15(20-19-14)16(22)18-17(3,4)12-21-9-6-8-13(2)11-21/h10,13H,5-9,11-12H2,1-4H3,(H,18,22)(H,19,20)/t13-/m1/s1.
What are the key properties of N-[2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide?
N-[2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 306.45 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 51871995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).