N-cyclohexyl-4-(2-methylpyrazole-3-carbonyl)-1,4-diazepane-1-carboxamide

C17H27N5O2 — CID 138380460

IUPACN-cyclohexyl-4-(2-methylpyrazole-3-carbonyl)-1,4-diazepane-1-carboxamide
SMILESCn1nccc1C(=O)N1CCCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C17H27N5O2/c1-20-15(8-9-18-20)16(23)21-10-5-11-22(13-12-21)17(24)19-14-6-3-2-4-7-14/h8-9,14H,2-7,10-13H2,1H3,(H,19,24)
InChIKeyKAGOEQIOTFZZEY-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.61
Rot. Bonds2

About N-cyclohexyl-4-(2-methylpyrazole-3-carbonyl)-1,4-diazepane-1-carboxamide

N-cyclohexyl-4-(2-methylpyrazole-3-carbonyl)-1,4-diazepane-1-carboxamide (PubChem CID 138380460) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-cyclohexyl-4-(2-methylpyrazole-3-carbonyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(2-methylpyrazole-3-carbonyl)-1,4-diazepane-1-carboxamide
PubChem CID138380460
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC NameN-cyclohexyl-4-(2-methylpyrazole-3-carbonyl)-1,4-diazepane-1-carboxamide
SMILESCn1nccc1C(=O)N1CCCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C17H27N5O2/c1-20-15(8-9-18-20)16(23)21-10-5-11-22(13-12-21)17(24)19-14-6-3-2-4-7-14/h8-9,14H,2-7,10-13H2,1H3,(H,19,24)
InChIKeyKAGOEQIOTFZZEY-UHFFFAOYSA-N
XLogP1.61
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95750139
1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110467110
N-cyclohexyl-4-(6-methylpyridine-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 138378584
4-(2-methylpyrazole-3-carbonyl)-N-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 138378141
N-cyclohexyl-4-(1H-pyrazole-5-carbonyl)piperazine-1-carboxamide
CID 138993599
N-cyclopentyl-4-(2-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 110811448
(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 61297196
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
N-cyclopentyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1,4-diazepane-1-carboxamide
CID 110813382
(2-methylpyrazol-3-yl)-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887582
(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone;hydrochloride
CID 119379296
4-(5-chlorothiophene-2-carbonyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide
CID 110813448

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2-methylpyrazole-3-carbonyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(2-methylpyrazole-3-carbonyl)-1,4-diazepane-1-carboxamide (CID 138380460) is N-cyclohexyl-4-(2-methylpyrazole-3-carbonyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(2-methylpyrazole-3-carbonyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(2-methylpyrazole-3-carbonyl)-1,4-diazepane-1-carboxamide is Cn1nccc1C(=O)N1CCCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-(2-methylpyrazole-3-carbonyl)-1,4-diazepane-1-carboxamide?
The InChIKey is KAGOEQIOTFZZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-20-15(8-9-18-20)16(23)21-10-5-11-22(13-12-21)17(24)19-14-6-3-2-4-7-14/h8-9,14H,2-7,10-13H2,1H3,(H,19,24).
What are the key properties of N-cyclohexyl-4-(2-methylpyrazole-3-carbonyl)-1,4-diazepane-1-carboxamide?
N-cyclohexyl-4-(2-methylpyrazole-3-carbonyl)-1,4-diazepane-1-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2-methylpyrazole-3-carbonyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 138380460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).