N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-1-methylpyrazole-4-carboxamide

C14H21N5O — CID 19575931

IUPACN-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC(Cn2cccn2)C(C)(C)C)cn1
InChIInChI=1S/C14H21N5O/c1-14(2,3)12(10-19-7-5-6-15-19)17-13(20)11-8-16-18(4)9-11/h5-9,12H,10H2,1-4H3,(H,17,20)
InChIKeyGNYFPZMQKBYGQU-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.46
Rot. Bonds4

About N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-1-methylpyrazole-4-carboxamide

N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-1-methylpyrazole-4-carboxamide (PubChem CID 19575931) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-1-methylpyrazole-4-carboxamide
PubChem CID19575931
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC(Cn2cccn2)C(C)(C)C)cn1
InChIInChI=1S/C14H21N5O/c1-14(2,3)12(10-19-7-5-6-15-19)17-13(20)11-8-16-18(4)9-11/h5-9,12H,10H2,1-4H3,(H,17,20)
InChIKeyGNYFPZMQKBYGQU-UHFFFAOYSA-N
XLogP1.46
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-1-methylpyrazole-4-carboxamide (CID 19575931) is N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NC(Cn2cccn2)C(C)(C)C)cn1.
What is the InChIKey of N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-1-methylpyrazole-4-carboxamide?
The InChIKey is GNYFPZMQKBYGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-14(2,3)12(10-19-7-5-6-15-19)17-13(20)11-8-16-18(4)9-11/h5-9,12H,10H2,1-4H3,(H,17,20).
What are the key properties of N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-1-methylpyrazole-4-carboxamide?
N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-1-methylpyrazole-4-carboxamide has a molecular weight of 275.36 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 19575931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).