4-amino-5-ethyl-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-3-carboxamide

C14H26N4O — CID 55033955

IUPAC4-amino-5-ethyl-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NC(C)(C)CC(C)(C)C)c1N
InChIInChI=1S/C14H26N4O/c1-7-9-10(15)11(18-17-9)12(19)16-14(5,6)8-13(2,3)4/h7-8,15H2,1-6H3,(H,16,19)(H,17,18)
InChIKeyBARIWYGMCMQWMN-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.50
Rot. Bonds4

About 4-amino-5-ethyl-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-3-carboxamide

4-amino-5-ethyl-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 55033955) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-amino-5-ethyl-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-ethyl-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID55033955
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name4-amino-5-ethyl-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NC(C)(C)CC(C)(C)C)c1N
InChIInChI=1S/C14H26N4O/c1-7-9-10(15)11(18-17-9)12(19)16-14(5,6)8-13(2,3)4/h7-8,15H2,1-6H3,(H,16,19)(H,17,18)
InChIKeyBARIWYGMCMQWMN-UHFFFAOYSA-N
XLogP2.50
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-ethyl-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-3-carboxamide (CID 55033955) is 4-amino-5-ethyl-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-ethyl-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-ethyl-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NC(C)(C)CC(C)(C)C)c1N.
What is the InChIKey of 4-amino-5-ethyl-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is BARIWYGMCMQWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-7-9-10(15)11(18-17-9)12(19)16-14(5,6)8-13(2,3)4/h7-8,15H2,1-6H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-5-ethyl-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-3-carboxamide?
4-amino-5-ethyl-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 266.39 g/mol, XLogP of 2.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55033955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).