1-(3-methylbutyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide

C19H34N4O — CID 119047350

IUPAC1-(3-methylbutyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)CCn1ncc(C(=O)NCC2CCN(C)CC2)c1C(C)C
InChIInChI=1S/C19H34N4O/c1-14(2)6-11-23-18(15(3)4)17(13-21-23)19(24)20-12-16-7-9-22(5)10-8-16/h13-16H,6-12H2,1-5H3,(H,20,24)
InChIKeyMBSAMHGBZFGWSS-UHFFFAOYSA-N
MW334.51 g/mol
LogP3.12
Rot. Bonds7

About 1-(3-methylbutyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide

1-(3-methylbutyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 119047350) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is 1-(3-methylbutyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-methylbutyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID119047350
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC Name1-(3-methylbutyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)CCn1ncc(C(=O)NCC2CCN(C)CC2)c1C(C)C
InChIInChI=1S/C19H34N4O/c1-14(2)6-11-23-18(15(3)4)17(13-21-23)19(24)20-12-16-7-9-22(5)10-8-16/h13-16H,6-12H2,1-5H3,(H,20,24)
InChIKeyMBSAMHGBZFGWSS-UHFFFAOYSA-N
XLogP3.12
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(3-methylbutyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide (CID 119047350) is 1-(3-methylbutyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-methylbutyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(3-methylbutyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide is CC(C)CCn1ncc(C(=O)NCC2CCN(C)CC2)c1C(C)C.
What is the InChIKey of 1-(3-methylbutyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is MBSAMHGBZFGWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O/c1-14(2)6-11-23-18(15(3)4)17(13-21-23)19(24)20-12-16-7-9-22(5)10-8-16/h13-16H,6-12H2,1-5H3,(H,20,24).
What are the key properties of 1-(3-methylbutyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide?
1-(3-methylbutyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 334.51 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 119047350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).