N-[(1R)-2,2-dimethyl-1-(2-methylphenyl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide

C21H31N5O — CID 96563116

IUPACN-[(1R)-2,2-dimethyl-1-(2-methylphenyl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
SMILESCc1ccccc1[C@H](NC(=O)N1CCN(c2cnn(C)c2)CC1)C(C)(C)C
InChIInChI=1S/C21H31N5O/c1-16-8-6-7-9-18(16)19(21(2,3)4)23-20(27)26-12-10-25(11-13-26)17-14-22-24(5)15-17/h6-9,14-15,19H,10-13H2,1-5H3,(H,23,27)/t19-/m0/s1
InChIKeyPYURNDASRGBTPD-IBGZPJMESA-N
MW369.51 g/mol
LogP3.35
Rot. Bonds3

About N-[(1R)-2,2-dimethyl-1-(2-methylphenyl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide

N-[(1R)-2,2-dimethyl-1-(2-methylphenyl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide (PubChem CID 96563116) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[(1R)-2,2-dimethyl-1-(2-methylphenyl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2,2-dimethyl-1-(2-methylphenyl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
PubChem CID96563116
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC NameN-[(1R)-2,2-dimethyl-1-(2-methylphenyl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
SMILESCc1ccccc1[C@H](NC(=O)N1CCN(c2cnn(C)c2)CC1)C(C)(C)C
InChIInChI=1S/C21H31N5O/c1-16-8-6-7-9-18(16)19(21(2,3)4)23-20(27)26-12-10-25(11-13-26)17-14-22-24(5)15-17/h6-9,14-15,19H,10-13H2,1-5H3,(H,23,27)/t19-/m0/s1
InChIKeyPYURNDASRGBTPD-IBGZPJMESA-N
XLogP3.35
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-1,4-diazepane-1-carboxamide
CID 71923749
N-(2-chloro-6-methylphenyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 86795696
N-(1-ethylsulfonylpropan-2-yl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 126793104
4-[4-(1-methylpyrazol-4-yl)phenyl]-N-[(1S)-1-naphthalen-1-ylethyl]piperazine-1-carboxamide
CID 70802467
N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 124608580
N-(3-methyl-4-nitrophenyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 75524371
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 94173692
2-methyl-3-(methylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]propan-1-one
CID 119887328
N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methylpyrazine-2-carboxamide
CID 154842733
4-[[2,2-dimethyl-1-(2-methylphenyl)propyl]amino]cyclohexane-1-carboxylic acid
CID 122031830
2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115291040
(E)-N-[1-(2-methylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,2-dimethyl-1-(2-methylphenyl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-[(1R)-2,2-dimethyl-1-(2-methylphenyl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide (CID 96563116) is N-[(1R)-2,2-dimethyl-1-(2-methylphenyl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(1R)-2,2-dimethyl-1-(2-methylphenyl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[(1R)-2,2-dimethyl-1-(2-methylphenyl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide is Cc1ccccc1[C@H](NC(=O)N1CCN(c2cnn(C)c2)CC1)C(C)(C)C.
What is the InChIKey of N-[(1R)-2,2-dimethyl-1-(2-methylphenyl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
The InChIKey is PYURNDASRGBTPD-IBGZPJMESA-N. The full InChI is InChI=1S/C21H31N5O/c1-16-8-6-7-9-18(16)19(21(2,3)4)23-20(27)26-12-10-25(11-13-26)17-14-22-24(5)15-17/h6-9,14-15,19H,10-13H2,1-5H3,(H,23,27)/t19-/m0/s1.
What are the key properties of N-[(1R)-2,2-dimethyl-1-(2-methylphenyl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
N-[(1R)-2,2-dimethyl-1-(2-methylphenyl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,2-dimethyl-1-(2-methylphenyl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 96563116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).