1-[(2R)-butan-2-yl]-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrazole-4-carboxamide

C18H30N4O — CID 124732224

IUPAC1-[(2R)-butan-2-yl]-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrazole-4-carboxamide
SMILESCC[C@@H](C)n1ncc(C(=O)NC2CCN(CC3CC3)CC2)c1C
InChIInChI=1S/C18H30N4O/c1-4-13(2)22-14(3)17(11-19-22)18(23)20-16-7-9-21(10-8-16)12-15-5-6-15/h11,13,15-16H,4-10,12H2,1-3H3,(H,20,23)/t13-/m1/s1
InChIKeyJKHDBYCHKRIQFG-CYBMUJFWSA-N
MW318.47 g/mol
LogP2.77
Rot. Bonds6

About 1-[(2R)-butan-2-yl]-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrazole-4-carboxamide

1-[(2R)-butan-2-yl]-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrazole-4-carboxamide (PubChem CID 124732224) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrazole-4-carboxamide
PubChem CID124732224
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name1-[(2R)-butan-2-yl]-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrazole-4-carboxamide
SMILESCC[C@@H](C)n1ncc(C(=O)NC2CCN(CC3CC3)CC2)c1C
InChIInChI=1S/C18H30N4O/c1-4-13(2)22-14(3)17(11-19-22)18(23)20-16-7-9-21(10-8-16)12-15-5-6-15/h11,13,15-16H,4-10,12H2,1-3H3,(H,20,23)/t13-/m1/s1
InChIKeyJKHDBYCHKRIQFG-CYBMUJFWSA-N
XLogP2.77
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-[(2R)-butan-2-yl]-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrazole-4-carboxamide (CID 124732224) is 1-[(2R)-butan-2-yl]-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2R)-butan-2-yl]-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-[(2R)-butan-2-yl]-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrazole-4-carboxamide is CC[C@@H](C)n1ncc(C(=O)NC2CCN(CC3CC3)CC2)c1C.
What is the InChIKey of 1-[(2R)-butan-2-yl]-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrazole-4-carboxamide?
The InChIKey is JKHDBYCHKRIQFG-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H30N4O/c1-4-13(2)22-14(3)17(11-19-22)18(23)20-16-7-9-21(10-8-16)12-15-5-6-15/h11,13,15-16H,4-10,12H2,1-3H3,(H,20,23)/t13-/m1/s1.
What are the key properties of 1-[(2R)-butan-2-yl]-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrazole-4-carboxamide?
1-[(2R)-butan-2-yl]-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrazole-4-carboxamide has a molecular weight of 318.47 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 124732224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).