N-(2-aminoethyl)-N-(cyclopropylmethyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

C19H26N4O — CID 167820118

IUPACN-(2-aminoethyl)-N-(cyclopropylmethyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)N(CCN)CC1CC1
InChIInChI=1S/C19H26N4O/c1-14-18(12-19(24)22(11-10-20)13-16-8-9-16)15(2)23(21-14)17-6-4-3-5-7-17/h3-7,16H,8-13,20H2,1-2H3
InChIKeyCQLGRTWCUSYGRD-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.23
Rot. Bonds7

About N-(2-aminoethyl)-N-(cyclopropylmethyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

N-(2-aminoethyl)-N-(cyclopropylmethyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (PubChem CID 167820118) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(cyclopropylmethyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(cyclopropylmethyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
PubChem CID167820118
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-(2-aminoethyl)-N-(cyclopropylmethyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)N(CCN)CC1CC1
InChIInChI=1S/C19H26N4O/c1-14-18(12-19(24)22(11-10-20)13-16-8-9-16)15(2)23(21-14)17-6-4-3-5-7-17/h3-7,16H,8-13,20H2,1-2H3
InChIKeyCQLGRTWCUSYGRD-UHFFFAOYSA-N
XLogP2.23
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(4-methylcyclohexyl)acetamide
CID 55595083
1-(4-aminopiperidin-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone;hydrochloride
CID 119376663
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone
CID 119487044
N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylacetamide
CID 162633481
2-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-4-yl]acetic acid
CID 119177850
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 8628994
N-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(cyclopropylmethyl)benzamide
CID 51069552
N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 37428862
[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 16527284
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-amine
CID 79220501
3-amino-N-[[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579736
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(4-methoxypiperidin-1-yl)ethanone
CID 56810569

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(cyclopropylmethyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-(2-aminoethyl)-N-(cyclopropylmethyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (CID 167820118) is N-(2-aminoethyl)-N-(cyclopropylmethyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(cyclopropylmethyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-N-(cyclopropylmethyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(CCN)CC1CC1.
What is the InChIKey of N-(2-aminoethyl)-N-(cyclopropylmethyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The InChIKey is CQLGRTWCUSYGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14-18(12-19(24)22(11-10-20)13-16-8-9-16)15(2)23(21-14)17-6-4-3-5-7-17/h3-7,16H,8-13,20H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-(cyclopropylmethyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
N-(2-aminoethyl)-N-(cyclopropylmethyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide has a molecular weight of 326.44 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(cyclopropylmethyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 167820118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).