N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-propan-2-ylpyrazole-3-sulfonamide

C14H21N5O2S — CID 122559259

IUPACN-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-propan-2-ylpyrazole-3-sulfonamide
SMILESCC(C)n1nccc1S(=O)(=O)NCC1(Cn2ccnc2)CC1
InChIInChI=1S/C14H21N5O2S/c1-12(2)19-13(3-6-16-19)22(20,21)17-9-14(4-5-14)10-18-8-7-15-11-18/h3,6-8,11-12,17H,4-5,9-10H2,1-2H3
InChIKeyHKXKUNNCZOZUGN-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.42
Rot. Bonds7

About N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-propan-2-ylpyrazole-3-sulfonamide

N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-propan-2-ylpyrazole-3-sulfonamide (PubChem CID 122559259) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-propan-2-ylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-propan-2-ylpyrazole-3-sulfonamide
PubChem CID122559259
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC NameN-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-propan-2-ylpyrazole-3-sulfonamide
SMILESCC(C)n1nccc1S(=O)(=O)NCC1(Cn2ccnc2)CC1
InChIInChI=1S/C14H21N5O2S/c1-12(2)19-13(3-6-16-19)22(20,21)17-9-14(4-5-14)10-18-8-7-15-11-18/h3,6-8,11-12,17H,4-5,9-10H2,1-2H3
InChIKeyHKXKUNNCZOZUGN-UHFFFAOYSA-N
XLogP1.42
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-propan-2-ylpyrazole-3-sulfonamide?
The IUPAC name of N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-propan-2-ylpyrazole-3-sulfonamide (CID 122559259) is N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-propan-2-ylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-propan-2-ylpyrazole-3-sulfonamide?
The canonical SMILES for N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-propan-2-ylpyrazole-3-sulfonamide is CC(C)n1nccc1S(=O)(=O)NCC1(Cn2ccnc2)CC1.
What is the InChIKey of N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-propan-2-ylpyrazole-3-sulfonamide?
The InChIKey is HKXKUNNCZOZUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-12(2)19-13(3-6-16-19)22(20,21)17-9-14(4-5-14)10-18-8-7-15-11-18/h3,6-8,11-12,17H,4-5,9-10H2,1-2H3.
What are the key properties of N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-propan-2-ylpyrazole-3-sulfonamide?
N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-propan-2-ylpyrazole-3-sulfonamide has a molecular weight of 323.42 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-propan-2-ylpyrazole-3-sulfonamide is sourced from PubChem (CID 122559259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).