1-(aminomethyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride

C17H23ClN4O — CID 119715476

IUPAC1-(aminomethyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)Nc2ccc(Cn3cccn3)cc2)CCCC1
InChIInChI=1S/C17H22N4O.ClH/c18-13-17(8-1-2-9-17)16(22)20-15-6-4-14(5-7-15)12-21-11-3-10-19-21;/h3-7,10-11H,1-2,8-9,12-13,18H2,(H,20,22);1H
InChIKeyFYXYDRUQNIKVBM-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.81
Rot. Bonds5

About 1-(aminomethyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride

1-(aminomethyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119715476) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119715476
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name1-(aminomethyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)Nc2ccc(Cn3cccn3)cc2)CCCC1
InChIInChI=1S/C17H22N4O.ClH/c18-13-17(8-1-2-9-17)16(22)20-15-6-4-14(5-7-15)12-21-11-3-10-19-21;/h3-7,10-11H,1-2,8-9,12-13,18H2,(H,20,22);1H
InChIKeyFYXYDRUQNIKVBM-UHFFFAOYSA-N
XLogP2.81
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119715469
1-(aminomethyl)-N-[4-(triazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 81485494
4-(aminomethyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120924765
1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide
CID 115437412
1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670345
1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 80587391
1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide
CID 115437417
1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 47442545
2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 47353024
1-(aminomethyl)-N-(4-methylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119694256
1-cyclohexyl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 60591547
1-(aminomethyl)-N-(3-iodophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119674707

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-(aminomethyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride (CID 119715476) is 1-(aminomethyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-(aminomethyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-(aminomethyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride is Cl.NCC1(C(=O)Nc2ccc(Cn3cccn3)cc2)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is FYXYDRUQNIKVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.ClH/c18-13-17(8-1-2-9-17)16(22)20-15-6-4-14(5-7-15)12-21-11-3-10-19-21;/h3-7,10-11H,1-2,8-9,12-13,18H2,(H,20,22);1H.
What are the key properties of 1-(aminomethyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
1-(aminomethyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119715476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).