4-amino-5-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrazole-3-carboxamide

C15H24N4O — CID 62083352

IUPAC4-amino-5-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NC2CC3CCC2(C)C3(C)C)c1N
InChIInChI=1S/C15H24N4O/c1-8-11(16)12(19-18-8)13(20)17-10-7-9-5-6-15(10,4)14(9,2)3/h9-10H,5-7,16H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyIIRSWVRMUUGONN-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.24
Rot. Bonds2

About 4-amino-5-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrazole-3-carboxamide

4-amino-5-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrazole-3-carboxamide (PubChem CID 62083352) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-amino-5-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrazole-3-carboxamide
PubChem CID62083352
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-amino-5-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NC2CC3CCC2(C)C3(C)C)c1N
InChIInChI=1S/C15H24N4O/c1-8-11(16)12(19-18-8)13(20)17-10-7-9-5-6-15(10,4)14(9,2)3/h9-10H,5-7,16H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyIIRSWVRMUUGONN-UHFFFAOYSA-N
XLogP2.24
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrazole-3-carboxamide (CID 62083352) is 4-amino-5-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NC2CC3CCC2(C)C3(C)C)c1N.
What is the InChIKey of 4-amino-5-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrazole-3-carboxamide?
The InChIKey is IIRSWVRMUUGONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-8-11(16)12(19-18-8)13(20)17-10-7-9-5-6-15(10,4)14(9,2)3/h9-10H,5-7,16H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 4-amino-5-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrazole-3-carboxamide?
4-amino-5-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrazole-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62083352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).