N-(2-amino-1-cyclopropylethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide

C14H24N4O — CID 119616778

IUPACN-(2-amino-1-cyclopropylethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide
SMILESCn1nc(C(C)(C)C)cc1C(=O)NC(CN)C1CC1
InChIInChI=1S/C14H24N4O/c1-14(2,3)12-7-11(18(4)17-12)13(19)16-10(8-15)9-5-6-9/h7,9-10H,5-6,8,15H2,1-4H3,(H,16,19)
InChIKeySNUWIARPCFSQHA-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.18
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide

N-(2-amino-1-cyclopropylethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide (PubChem CID 119616778) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide
PubChem CID119616778
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide
SMILESCn1nc(C(C)(C)C)cc1C(=O)NC(CN)C1CC1
InChIInChI=1S/C14H24N4O/c1-14(2,3)12-7-11(18(4)17-12)13(19)16-10(8-15)9-5-6-9/h7,9-10H,5-6,8,15H2,1-4H3,(H,16,19)
InChIKeySNUWIARPCFSQHA-UHFFFAOYSA-N
XLogP1.18
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide (CID 119616778) is N-(2-amino-1-cyclopropylethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide is Cn1nc(C(C)(C)C)cc1C(=O)NC(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide?
The InChIKey is SNUWIARPCFSQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-14(2,3)12-7-11(18(4)17-12)13(19)16-10(8-15)9-5-6-9/h7,9-10H,5-6,8,15H2,1-4H3,(H,16,19).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide?
N-(2-amino-1-cyclopropylethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 119616778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).