N-[(2S)-1-aminopropan-2-yl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide

C12H22N4O — CID 120506812

IUPACN-[(2S)-1-aminopropan-2-yl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1nc(C)c(C(=O)N[C@@H](C)CN)c1C
InChIInChI=1S/C12H22N4O/c1-5-6-16-10(4)11(9(3)15-16)12(17)14-8(2)7-13/h8H,5-7,13H2,1-4H3,(H,14,17)/t8-/m0/s1
InChIKeyNOQRRLUNSQGYIJ-QMMMGPOBSA-N
MW238.33 g/mol
LogP0.99
Rot. Bonds5

About N-[(2S)-1-aminopropan-2-yl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide

N-[(2S)-1-aminopropan-2-yl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide (PubChem CID 120506812) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide
PubChem CID120506812
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1nc(C)c(C(=O)N[C@@H](C)CN)c1C
InChIInChI=1S/C12H22N4O/c1-5-6-16-10(4)11(9(3)15-16)12(17)14-8(2)7-13/h8H,5-7,13H2,1-4H3,(H,14,17)/t8-/m0/s1
InChIKeyNOQRRLUNSQGYIJ-QMMMGPOBSA-N
XLogP0.99
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-pentan-2-ylsulfonyl-1-propylpyrazole-4-carboxamide
CID 75380279
N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide
CID 119643471
2-[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]butanoic acid
CID 119223425
N-(1-aminobutan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 63754459
[4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride
CID 119520508
7-[(3,5-dimethyl-1-propylpyrazole-4-carbonyl)amino]heptanoic acid
CID 119350682
2-methyl-6-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]heptanoic acid
CID 65285303
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 146131311
N-(5-chloropentan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 114305784
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride
CID 119459130
1-ethyl-3,5-dimethyl-N-propylpyrazole-4-carboxamide
CID 19472103
[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride
CID 119413051

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide (CID 120506812) is N-[(2S)-1-aminopropan-2-yl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide is CCCn1nc(C)c(C(=O)N[C@@H](C)CN)c1C.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide?
The InChIKey is NOQRRLUNSQGYIJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-6-16-10(4)11(9(3)15-16)12(17)14-8(2)7-13/h8H,5-7,13H2,1-4H3,(H,14,17)/t8-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide?
N-[(2S)-1-aminopropan-2-yl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 120506812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).