1-(cyclopropylmethyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]-4-pyridinyl]methyl]pyrazole-4-sulfonamide

C18H24N4O4S — CID 164627824

IUPAC1-(cyclopropylmethyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]-4-pyridinyl]methyl]pyrazole-4-sulfonamide
SMILESO=S(=O)(NCc1ccncc1OC[C@H]1CCOC1)c1cnn(CC2CC2)c1
InChIInChI=1S/C18H24N4O4S/c23-27(24,17-8-20-22(11-17)10-14-1-2-14)21-7-16-3-5-19-9-18(16)26-13-15-4-6-25-12-15/h3,5,8-9,11,14-15,21H,1-2,4,6-7,10,12-13H2/t15-/m0/s1
InChIKeyAEGCMDDZJWDHFR-HNNXBMFYSA-N
MW392.48 g/mol
LogP1.58
Rot. Bonds9

About 1-(cyclopropylmethyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]-4-pyridinyl]methyl]pyrazole-4-sulfonamide

1-(cyclopropylmethyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]-4-pyridinyl]methyl]pyrazole-4-sulfonamide (PubChem CID 164627824) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]-4-pyridinyl]methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]-4-pyridinyl]methyl]pyrazole-4-sulfonamide
PubChem CID164627824
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name1-(cyclopropylmethyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]-4-pyridinyl]methyl]pyrazole-4-sulfonamide
SMILESO=S(=O)(NCc1ccncc1OC[C@H]1CCOC1)c1cnn(CC2CC2)c1
InChIInChI=1S/C18H24N4O4S/c23-27(24,17-8-20-22(11-17)10-14-1-2-14)21-7-16-3-5-19-9-18(16)26-13-15-4-6-25-12-15/h3,5,8-9,11,14-15,21H,1-2,4,6-7,10,12-13H2/t15-/m0/s1
InChIKeyAEGCMDDZJWDHFR-HNNXBMFYSA-N
XLogP1.58
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(cyclopropylmethyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]-4-pyridinyl]methyl]pyrazole-4-sulfonamide with MolForge

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Related Compounds

4-bromo-3-(oxolan-3-ylmethoxy)pyridine
CID 90421245
1-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-(3-phenoxycyclobutyl)urea
CID 166243047
N-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 166207649
N-[[3-(cyclopropylmethoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075090
4-ethoxy-3-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 90622466
1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 19683256
2-methyl-N-[[4-(oxan-4-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81250387
N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90622431
1-[2-(ethylamino)ethyl]-N-(oxan-3-ylmethyl)pyrazole-4-sulfonamide
CID 106016439
4-ethoxy-3-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 95126815
2-amino-N-(oxolan-3-ylmethyl)pyridine-4-sulfonamide
CID 55119398
4-methoxy-3-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 90622401

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]-4-pyridinyl]methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]-4-pyridinyl]methyl]pyrazole-4-sulfonamide (CID 164627824) is 1-(cyclopropylmethyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]-4-pyridinyl]methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]-4-pyridinyl]methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]-4-pyridinyl]methyl]pyrazole-4-sulfonamide is O=S(=O)(NCc1ccncc1OC[C@H]1CCOC1)c1cnn(CC2CC2)c1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]-4-pyridinyl]methyl]pyrazole-4-sulfonamide?
The InChIKey is AEGCMDDZJWDHFR-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c23-27(24,17-8-20-22(11-17)10-14-1-2-14)21-7-16-3-5-19-9-18(16)26-13-15-4-6-25-12-15/h3,5,8-9,11,14-15,21H,1-2,4,6-7,10,12-13H2/t15-/m0/s1.
What are the key properties of 1-(cyclopropylmethyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]-4-pyridinyl]methyl]pyrazole-4-sulfonamide?
1-(cyclopropylmethyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]-4-pyridinyl]methyl]pyrazole-4-sulfonamide has a molecular weight of 392.48 g/mol, XLogP of 1.58, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]-4-pyridinyl]methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 164627824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).