N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1-propylpyrazole-4-sulfonamide

C13H21N5O2S — CID 164633988

IUPACN-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N[C@@H](CC)c2ncc(C)[nH]2)cn1
InChIInChI=1S/C13H21N5O2S/c1-4-6-18-9-11(8-15-18)21(19,20)17-12(5-2)13-14-7-10(3)16-13/h7-9,12,17H,4-6H2,1-3H3,(H,14,16)/t12-/m0/s1
InChIKeyBVAGPOJRDABZGS-LBPRGKRZSA-N
MW311.41 g/mol
LogP1.75
Rot. Bonds7

About N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1-propylpyrazole-4-sulfonamide

N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1-propylpyrazole-4-sulfonamide (PubChem CID 164633988) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1-propylpyrazole-4-sulfonamide
PubChem CID164633988
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC NameN-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N[C@@H](CC)c2ncc(C)[nH]2)cn1
InChIInChI=1S/C13H21N5O2S/c1-4-6-18-9-11(8-15-18)21(19,20)17-12(5-2)13-14-7-10(3)16-13/h7-9,12,17H,4-6H2,1-3H3,(H,14,16)/t12-/m0/s1
InChIKeyBVAGPOJRDABZGS-LBPRGKRZSA-N
XLogP1.75
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1-propylpyrazole-4-sulfonamide?
The IUPAC name of N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1-propylpyrazole-4-sulfonamide (CID 164633988) is N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N[C@@H](CC)c2ncc(C)[nH]2)cn1.
What is the InChIKey of N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1-propylpyrazole-4-sulfonamide?
The InChIKey is BVAGPOJRDABZGS-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-4-6-18-9-11(8-15-18)21(19,20)17-12(5-2)13-14-7-10(3)16-13/h7-9,12,17H,4-6H2,1-3H3,(H,14,16)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1-propylpyrazole-4-sulfonamide?
N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1-propylpyrazole-4-sulfonamide has a molecular weight of 311.41 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 164633988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).