N-[(3S)-1-ethylpiperidin-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C14H24N4O — CID 164631801

IUPACN-[(3S)-1-ethylpiperidin-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCCN1CCC[C@H](NC(=O)c2cc(C(C)C)[nH]n2)C1
InChIInChI=1S/C14H24N4O/c1-4-18-7-5-6-11(9-18)15-14(19)13-8-12(10(2)3)16-17-13/h8,10-11H,4-7,9H2,1-3H3,(H,15,19)(H,16,17)/t11-/m0/s1
InChIKeyMUEZAFNEFWXPDN-NSHDSACASA-N
MW264.37 g/mol
LogP1.75
Rot. Bonds4

About N-[(3S)-1-ethylpiperidin-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-[(3S)-1-ethylpiperidin-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 164631801) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[(3S)-1-ethylpiperidin-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-ethylpiperidin-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID164631801
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-[(3S)-1-ethylpiperidin-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCCN1CCC[C@H](NC(=O)c2cc(C(C)C)[nH]n2)C1
InChIInChI=1S/C14H24N4O/c1-4-18-7-5-6-11(9-18)15-14(19)13-8-12(10(2)3)16-17-13/h8,10-11H,4-7,9H2,1-3H3,(H,15,19)(H,16,17)/t11-/m0/s1
InChIKeyMUEZAFNEFWXPDN-NSHDSACASA-N
XLogP1.75
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-ethylpiperidin-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(3S)-1-ethylpiperidin-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 164631801) is N-[(3S)-1-ethylpiperidin-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-ethylpiperidin-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(3S)-1-ethylpiperidin-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CCN1CCC[C@H](NC(=O)c2cc(C(C)C)[nH]n2)C1.
What is the InChIKey of N-[(3S)-1-ethylpiperidin-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is MUEZAFNEFWXPDN-NSHDSACASA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-18-7-5-6-11(9-18)15-14(19)13-8-12(10(2)3)16-17-13/h8,10-11H,4-7,9H2,1-3H3,(H,15,19)(H,16,17)/t11-/m0/s1.
What are the key properties of N-[(3S)-1-ethylpiperidin-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-[(3S)-1-ethylpiperidin-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-ethylpiperidin-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 164631801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).