3-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-propylpyrazole-4-carboxamide

C14H21N5O — CID 125436634

IUPAC3-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)N[C@H](C)c2ncc(C)[nH]2)c(C)n1
InChIInChI=1S/C14H21N5O/c1-5-6-19-8-12(10(3)18-19)14(20)17-11(4)13-15-7-9(2)16-13/h7-8,11H,5-6H2,1-4H3,(H,15,16)(H,17,20)/t11-/m1/s1
InChIKeyYSRGSCWWMZDDMA-LLVKDONJSA-N
MW275.36 g/mol
LogP2.12
Rot. Bonds5

About 3-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-propylpyrazole-4-carboxamide

3-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-propylpyrazole-4-carboxamide (PubChem CID 125436634) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 3-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-propylpyrazole-4-carboxamide
PubChem CID125436634
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name3-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)N[C@H](C)c2ncc(C)[nH]2)c(C)n1
InChIInChI=1S/C14H21N5O/c1-5-6-19-8-12(10(3)18-19)14(20)17-11(4)13-15-7-9(2)16-13/h7-8,11H,5-6H2,1-4H3,(H,15,16)(H,17,20)/t11-/m1/s1
InChIKeyYSRGSCWWMZDDMA-LLVKDONJSA-N
XLogP2.12
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-propyl-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide
CID 125175780
1,6-dimethyl-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-oxopyridine-3-carboxamide
CID 126435307
4-methyl-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 125443312
3-methyl-1-propyl-N-[(1S)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-carboxamide
CID 97126973
N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide
CID 125438716
N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide
CID 125439324
3-methyl-1-propylpyrazole-4-carbonyl chloride
CID 15616731
1-ethyl-N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-methylpyrazole-4-carboxamide
CID 19474462
2-indazol-2-yl-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 122572191
N-[3-(dimethylamino)-1-phenylpropyl]-3-methyl-1-propylpyrazole-4-carboxamide
CID 118796171
3-(2-fluorophenyl)-3-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid
CID 72875177
2-(benzotriazol-2-yl)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 125435660

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-propylpyrazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-propylpyrazole-4-carboxamide (CID 125436634) is 3-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-propylpyrazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-propylpyrazole-4-carboxamide is CCCn1cc(C(=O)N[C@H](C)c2ncc(C)[nH]2)c(C)n1.
What is the InChIKey of 3-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-propylpyrazole-4-carboxamide?
The InChIKey is YSRGSCWWMZDDMA-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N5O/c1-5-6-19-8-12(10(3)18-19)14(20)17-11(4)13-15-7-9(2)16-13/h7-8,11H,5-6H2,1-4H3,(H,15,16)(H,17,20)/t11-/m1/s1.
What are the key properties of 3-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-propylpyrazole-4-carboxamide?
3-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-propylpyrazole-4-carboxamide has a molecular weight of 275.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 125436634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).