N-[2-(2-aminoethylcarbamoyl)phenyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride

C20H28ClN5O2 — CID 120603995

IUPACN-[2-(2-aminoethylcarbamoyl)phenyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride
SMILESCC(C)(C)n1nc(C(=O)Nc2ccccc2C(=O)NCCN)cc1C1CC1.Cl
InChIInChI=1S/C20H27N5O2.ClH/c1-20(2,3)25-17(13-8-9-13)12-16(24-25)19(27)23-15-7-5-4-6-14(15)18(26)22-11-10-21;/h4-7,12-13H,8-11,21H2,1-3H3,(H,22,26)(H,23,27);1H
InChIKeyMCWOJBDQZFNUAL-UHFFFAOYSA-N
MW405.93 g/mol
LogP2.88
Rot. Bonds6

About N-[2-(2-aminoethylcarbamoyl)phenyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride

N-[2-(2-aminoethylcarbamoyl)phenyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride (PubChem CID 120603995) has the molecular formula C20H28ClN5O2 and a molecular weight of 405.93 g/mol. Its IUPAC name is N-[2-(2-aminoethylcarbamoyl)phenyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-aminoethylcarbamoyl)phenyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride
PubChem CID120603995
Molecular FormulaC20H28ClN5O2
Molecular Weight405.93 g/mol
Exact Mass405.19
IUPAC NameN-[2-(2-aminoethylcarbamoyl)phenyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride
SMILESCC(C)(C)n1nc(C(=O)Nc2ccccc2C(=O)NCCN)cc1C1CC1.Cl
InChIInChI=1S/C20H27N5O2.ClH/c1-20(2,3)25-17(13-8-9-13)12-16(24-25)19(27)23-15-7-5-4-6-14(15)18(26)22-11-10-21;/h4-7,12-13H,8-11,21H2,1-3H3,(H,22,26)(H,23,27);1H
InChIKeyMCWOJBDQZFNUAL-UHFFFAOYSA-N
XLogP2.88
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-5-cyclopropyl-N-[2-(ethylamino)ethyl]pyrazole-3-carboxamide
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CID 49008360
N-(2-aminoethyl)-2-[(2-tert-butylsulfanylacetyl)amino]benzamide;hydrochloride
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1-tert-butyl-5-cyclopropyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]pyrazole-3-carboxamide
CID 55873188
N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride
CID 120604417
N-(4-aminocyclohexyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
CID 119474690
1-tert-butyl-5-cyclopropyl-N'-[2-(2-ethoxyphenoxy)acetyl]pyrazole-3-carbohydrazide
CID 55834300
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CID 120882272
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
CID 119455407
1-tert-butyl-5-cyclopropyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide
CID 55883271
N-(2-aminoethyl)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 120603623

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride (CID 120603995) is N-[2-(2-aminoethylcarbamoyl)phenyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(2-aminoethylcarbamoyl)phenyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(2-aminoethylcarbamoyl)phenyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride is CC(C)(C)n1nc(C(=O)Nc2ccccc2C(=O)NCCN)cc1C1CC1.Cl.
What is the InChIKey of N-[2-(2-aminoethylcarbamoyl)phenyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride?
The InChIKey is MCWOJBDQZFNUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2.ClH/c1-20(2,3)25-17(13-8-9-13)12-16(24-25)19(27)23-15-7-5-4-6-14(15)18(26)22-11-10-21;/h4-7,12-13H,8-11,21H2,1-3H3,(H,22,26)(H,23,27);1H.
What are the key properties of N-[2-(2-aminoethylcarbamoyl)phenyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride?
N-[2-(2-aminoethylcarbamoyl)phenyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride has a molecular weight of 405.93 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylcarbamoyl)phenyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120603995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).