N-[4-(2-hydroxycyclohexyl)oxyphenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide;hydrochloride

C20H27ClN4O3 — CID 120603285

IUPACN-[4-(2-hydroxycyclohexyl)oxyphenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(OC2CCCCC2O)cc1)c1cc(C2CCNC2)[nH]n1
InChIInChI=1S/C20H26N4O3.ClH/c25-18-3-1-2-4-19(18)27-15-7-5-14(6-8-15)22-20(26)17-11-16(23-24-17)13-9-10-21-12-13;/h5-8,11,13,18-19,21,25H,1-4,9-10,12H2,(H,22,26)(H,23,24);1H
InChIKeyBRIHROCGCJZNBN-UHFFFAOYSA-N
MW406.91 g/mol
LogP2.84
Rot. Bonds5

About N-[4-(2-hydroxycyclohexyl)oxyphenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide;hydrochloride

N-[4-(2-hydroxycyclohexyl)oxyphenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide;hydrochloride (PubChem CID 120603285) has the molecular formula C20H27ClN4O3 and a molecular weight of 406.91 g/mol. Its IUPAC name is N-[4-(2-hydroxycyclohexyl)oxyphenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2-hydroxycyclohexyl)oxyphenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide;hydrochloride
PubChem CID120603285
Molecular FormulaC20H27ClN4O3
Molecular Weight406.91 g/mol
Exact Mass406.18
IUPAC NameN-[4-(2-hydroxycyclohexyl)oxyphenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(OC2CCCCC2O)cc1)c1cc(C2CCNC2)[nH]n1
InChIInChI=1S/C20H26N4O3.ClH/c25-18-3-1-2-4-19(18)27-15-7-5-14(6-8-15)22-20(26)17-11-16(23-24-17)13-9-10-21-12-13;/h5-8,11,13,18-19,21,25H,1-4,9-10,12H2,(H,22,26)(H,23,24);1H
InChIKeyBRIHROCGCJZNBN-UHFFFAOYSA-N
XLogP2.84
TPSA99.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.91
LogP ≤ 52.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119793747
N-(4-bromo-3-methylphenyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide
CID 112707582
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide
CID 167973951
N-[4-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 118903760
5-[[4-(2-hydroxycyclohexyl)oxyphenyl]carbamoyl]pyridine-2-carboxylic acid
CID 120515766
5-cyclopropyl-N-[4-(3-methylphenoxy)phenyl]-1H-pyrazole-3-carboxamide
CID 46582218
N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2,5-dimethylfuran-3-carboxamide
CID 111428790
N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylbenzamide
CID 111428764
N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide
CID 111428793
N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide
CID 166224779
2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylpropanamide
CID 119329332
2-(cyclopropylmethylamino)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]acetamide;hydrochloride
CID 119793780

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxycyclohexyl)oxyphenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-(2-hydroxycyclohexyl)oxyphenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide;hydrochloride (CID 120603285) is N-[4-(2-hydroxycyclohexyl)oxyphenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(2-hydroxycyclohexyl)oxyphenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(2-hydroxycyclohexyl)oxyphenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(OC2CCCCC2O)cc1)c1cc(C2CCNC2)[nH]n1.
What is the InChIKey of N-[4-(2-hydroxycyclohexyl)oxyphenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The InChIKey is BRIHROCGCJZNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3.ClH/c25-18-3-1-2-4-19(18)27-15-7-5-14(6-8-15)22-20(26)17-11-16(23-24-17)13-9-10-21-12-13;/h5-8,11,13,18-19,21,25H,1-4,9-10,12H2,(H,22,26)(H,23,24);1H.
What are the key properties of N-[4-(2-hydroxycyclohexyl)oxyphenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide;hydrochloride?
N-[4-(2-hydroxycyclohexyl)oxyphenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide;hydrochloride has a molecular weight of 406.91 g/mol, XLogP of 2.84, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxycyclohexyl)oxyphenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120603285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).