N-[4-(propylamino)cyclohexyl]-1H-pyrazole-5-carboxamide

C13H22N4O — CID 63085249

IUPACN-[4-(propylamino)cyclohexyl]-1H-pyrazole-5-carboxamide
SMILESCCCNC1CCC(NC(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C13H22N4O/c1-2-8-14-10-3-5-11(6-4-10)16-13(18)12-7-9-15-17-12/h7,9-11,14H,2-6,8H2,1H3,(H,15,17)(H,16,18)
InChIKeyLEOWOJWUJFTHJZ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.45
Rot. Bonds5

About N-[4-(propylamino)cyclohexyl]-1H-pyrazole-5-carboxamide

N-[4-(propylamino)cyclohexyl]-1H-pyrazole-5-carboxamide (PubChem CID 63085249) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[4-(propylamino)cyclohexyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(propylamino)cyclohexyl]-1H-pyrazole-5-carboxamide
PubChem CID63085249
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[4-(propylamino)cyclohexyl]-1H-pyrazole-5-carboxamide
SMILESCCCNC1CCC(NC(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C13H22N4O/c1-2-8-14-10-3-5-11(6-4-10)16-13(18)12-7-9-15-17-12/h7,9-11,14H,2-6,8H2,1H3,(H,15,17)(H,16,18)
InChIKeyLEOWOJWUJFTHJZ-UHFFFAOYSA-N
XLogP1.45
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[4-(propylamino)cyclohexyl]-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-piperidin-4-yl-1H-pyrazole-5-carboxamide
CID 62050322
N-(azetidin-3-yl)-1H-pyrazole-5-carboxamide
CID 66187687
methyl-[4-(1H-pyrazole-5-carbonylamino)piperidin-1-yl]borinic acid
CID 153412370
N-[2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide
CID 110017703
N-(6-oxopiperidin-3-yl)-1H-pyrazole-5-carboxamide
CID 62490219
N-[(3R)-piperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 104645486
N-[(1S,2S)-2-methylcyclopentyl]-1H-pyrazole-5-carboxamide
CID 59304482
2,3-dihydroxy-N-[4-(propylamino)cyclohexyl]benzamide
CID 114343472
2-chloro-N-[4-(propylamino)cyclohexyl]benzamide
CID 43653408
3-hydroxy-4-methyl-N-[4-(propylamino)cyclohexyl]benzamide
CID 43653447
N-(2,6-dimethylpiperidin-1-yl)-1H-pyrazole-5-carboxamide
CID 141156891
2,5-dimethyl-N-[4-(propylamino)cyclohexyl]pyrazole-3-carboxamide
CID 66126685

Frequently Asked Questions

What is the IUPAC name of N-[4-(propylamino)cyclohexyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-(propylamino)cyclohexyl]-1H-pyrazole-5-carboxamide (CID 63085249) is N-[4-(propylamino)cyclohexyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(propylamino)cyclohexyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-(propylamino)cyclohexyl]-1H-pyrazole-5-carboxamide is CCCNC1CCC(NC(=O)c2ccn[nH]2)CC1.
What is the InChIKey of N-[4-(propylamino)cyclohexyl]-1H-pyrazole-5-carboxamide?
The InChIKey is LEOWOJWUJFTHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-8-14-10-3-5-11(6-4-10)16-13(18)12-7-9-15-17-12/h7,9-11,14H,2-6,8H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[4-(propylamino)cyclohexyl]-1H-pyrazole-5-carboxamide?
N-[4-(propylamino)cyclohexyl]-1H-pyrazole-5-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propylamino)cyclohexyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63085249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).