N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]cyclohexanecarboxamide

C17H21FN4O — CID 142475463

IUPACN-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]cyclohexanecarboxamide
SMILESC[C@H](NC(=O)C1CCCCC1)c1ccc(-n2cc(F)cn2)nc1
InChIInChI=1S/C17H21FN4O/c1-12(21-17(23)13-5-3-2-4-6-13)14-7-8-16(19-9-14)22-11-15(18)10-20-22/h7-13H,2-6H2,1H3,(H,21,23)/t12-/m0/s1
InChIKeyAQAMCTGLQRXBGS-LBPRGKRZSA-N
MW316.38 g/mol
LogP3.16
Rot. Bonds4

About N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]cyclohexanecarboxamide

N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]cyclohexanecarboxamide (PubChem CID 142475463) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]cyclohexanecarboxamide
PubChem CID142475463
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC NameN-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]cyclohexanecarboxamide
SMILESC[C@H](NC(=O)C1CCCCC1)c1ccc(-n2cc(F)cn2)nc1
InChIInChI=1S/C17H21FN4O/c1-12(21-17(23)13-5-3-2-4-6-13)14-7-8-16(19-9-14)22-11-15(18)10-20-22/h7-13H,2-6H2,1H3,(H,21,23)/t12-/m0/s1
InChIKeyAQAMCTGLQRXBGS-LBPRGKRZSA-N
XLogP3.16
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 145307264
tert-butyl N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]carbamate
CID 146398960
N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 46763137
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-4-hydroxy-4-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]-2-pyridinyl]cyclohexane-1-carboxamide
CID 154827276
ethane;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine
CID 145307256
1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;dihydrochloride
CID 146157882
N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide
CID 142278872
cis-(1S,3R)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-3-[4-[(1-hydrazinyl-3-methylbut-2-enylidene)amino]-6-methylpyrimidin-2-yl]cyclopentane-1-carboxamide
CID 134216897
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-3-methyl-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclobutane-1-carboxamide
CID 130433094
(1R)-N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,2-dimethylcyclohexane-1-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 145307263
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]propanamide
CID 175370478
3-[(2-chloroacetyl)amino]-3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethylcarbamoyl]azetidine-1-carboxylic acid
CID 175040696

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]cyclohexanecarboxamide (CID 142475463) is N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]cyclohexanecarboxamide is C[C@H](NC(=O)C1CCCCC1)c1ccc(-n2cc(F)cn2)nc1.
What is the InChIKey of N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]cyclohexanecarboxamide?
The InChIKey is AQAMCTGLQRXBGS-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-12(21-17(23)13-5-3-2-4-6-13)14-7-8-16(19-9-14)22-11-15(18)10-20-22/h7-13H,2-6H2,1H3,(H,21,23)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]cyclohexanecarboxamide?
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]cyclohexanecarboxamide has a molecular weight of 316.38 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 142475463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).