N-(1-amino-2-cyclopropylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide

C15H26N4O — CID 119572405

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)(CN)C2CC2)cnn1C(C)(C)C
InChIInChI=1S/C15H26N4O/c1-10-12(8-17-19(10)14(2,3)4)13(20)18-15(5,9-16)11-6-7-11/h8,11H,6-7,9,16H2,1-5H3,(H,18,20)
InChIKeyQZZVDCXERSYXDP-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.80
Rot. Bonds4

About N-(1-amino-2-cyclopropylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide

N-(1-amino-2-cyclopropylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide (PubChem CID 119572405) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide
PubChem CID119572405
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)(CN)C2CC2)cnn1C(C)(C)C
InChIInChI=1S/C15H26N4O/c1-10-12(8-17-19(10)14(2,3)4)13(20)18-15(5,9-16)11-6-7-11/h8,11H,6-7,9,16H2,1-5H3,(H,18,20)
InChIKeyQZZVDCXERSYXDP-UHFFFAOYSA-N
XLogP1.80
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide (CID 119572405) is N-(1-amino-2-cyclopropylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)NC(C)(CN)C2CC2)cnn1C(C)(C)C.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide?
The InChIKey is QZZVDCXERSYXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-10-12(8-17-19(10)14(2,3)4)13(20)18-15(5,9-16)11-6-7-11/h8,11H,6-7,9,16H2,1-5H3,(H,18,20).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 119572405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).