4-amino-N-(5-methylhexan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide

C14H26N4O — CID 55034501

IUPAC4-amino-N-(5-methylhexan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NC(C)CCC(C)C)c1N
InChIInChI=1S/C14H26N4O/c1-5-6-11-12(15)13(18-17-11)14(19)16-10(4)8-7-9(2)3/h9-10H,5-8,15H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyPWPNNDWWHOJILM-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.50
Rot. Bonds7

About 4-amino-N-(5-methylhexan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide

4-amino-N-(5-methylhexan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 55034501) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-amino-N-(5-methylhexan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-methylhexan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID55034501
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name4-amino-N-(5-methylhexan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NC(C)CCC(C)C)c1N
InChIInChI=1S/C14H26N4O/c1-5-6-11-12(15)13(18-17-11)14(19)16-10(4)8-7-9(2)3/h9-10H,5-8,15H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyPWPNNDWWHOJILM-UHFFFAOYSA-N
XLogP2.50
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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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Related Compounds

4-amino-N-(3,3-dimethylbutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide
CID 113457627
4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62077091
4-amino-5-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-3-carboxamide
CID 107210470
4-amino-5-propyl-N-(1-pyridin-4-ylethyl)-1H-pyrazole-3-carboxamide
CID 62076755
4-amino-N-(2-methylpropyl)-N-propan-2-yl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075785
4-amino-N-(2,2-difluoroethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 115405291
4-amino-N-(2-methoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62075273
4-amino-N-tert-butyl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075103
N-hexan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65388449
4-amino-5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 106208024
N-butan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65373238
4-amino-N-[1-(oxolan-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62075134

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-methylhexan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(5-methylhexan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide (CID 55034501) is 4-amino-N-(5-methylhexan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(5-methylhexan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(5-methylhexan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)NC(C)CCC(C)C)c1N.
What is the InChIKey of 4-amino-N-(5-methylhexan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is PWPNNDWWHOJILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-6-11-12(15)13(18-17-11)14(19)16-10(4)8-7-9(2)3/h9-10H,5-8,15H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-N-(5-methylhexan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide?
4-amino-N-(5-methylhexan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 266.39 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-methylhexan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55034501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).