4-[(cyclopropylamino)methyl]-5-methyl-N-morpholin-4-yl-1H-pyrazole-3-sulfonamide

C12H21N5O3S — CID 106075895

IUPAC4-[(cyclopropylamino)methyl]-5-methyl-N-morpholin-4-yl-1H-pyrazole-3-sulfonamide
SMILESCc1[nH]nc(S(=O)(=O)NN2CCOCC2)c1CNC1CC1
InChIInChI=1S/C12H21N5O3S/c1-9-11(8-13-10-2-3-10)12(15-14-9)21(18,19)16-17-4-6-20-7-5-17/h10,13,16H,2-8H2,1H3,(H,14,15)
InChIKeyRCKHSVPBPQBWRW-UHFFFAOYSA-N
MW315.40 g/mol
LogP-0.50
Rot. Bonds6

About 4-[(cyclopropylamino)methyl]-5-methyl-N-morpholin-4-yl-1H-pyrazole-3-sulfonamide

4-[(cyclopropylamino)methyl]-5-methyl-N-morpholin-4-yl-1H-pyrazole-3-sulfonamide (PubChem CID 106075895) has the molecular formula C12H21N5O3S and a molecular weight of 315.40 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-5-methyl-N-morpholin-4-yl-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-5-methyl-N-morpholin-4-yl-1H-pyrazole-3-sulfonamide
PubChem CID106075895
Molecular FormulaC12H21N5O3S
Molecular Weight315.40 g/mol
Exact Mass315.14
IUPAC Name4-[(cyclopropylamino)methyl]-5-methyl-N-morpholin-4-yl-1H-pyrazole-3-sulfonamide
SMILESCc1[nH]nc(S(=O)(=O)NN2CCOCC2)c1CNC1CC1
InChIInChI=1S/C12H21N5O3S/c1-9-11(8-13-10-2-3-10)12(15-14-9)21(18,19)16-17-4-6-20-7-5-17/h10,13,16H,2-8H2,1H3,(H,14,15)
InChIKeyRCKHSVPBPQBWRW-UHFFFAOYSA-N
XLogP-0.50
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-5-methyl-N-morpholin-4-yl-1H-pyrazole-3-sulfonamide?
The IUPAC name of 4-[(cyclopropylamino)methyl]-5-methyl-N-morpholin-4-yl-1H-pyrazole-3-sulfonamide (CID 106075895) is 4-[(cyclopropylamino)methyl]-5-methyl-N-morpholin-4-yl-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-5-methyl-N-morpholin-4-yl-1H-pyrazole-3-sulfonamide?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-5-methyl-N-morpholin-4-yl-1H-pyrazole-3-sulfonamide is Cc1[nH]nc(S(=O)(=O)NN2CCOCC2)c1CNC1CC1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-5-methyl-N-morpholin-4-yl-1H-pyrazole-3-sulfonamide?
The InChIKey is RCKHSVPBPQBWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3S/c1-9-11(8-13-10-2-3-10)12(15-14-9)21(18,19)16-17-4-6-20-7-5-17/h10,13,16H,2-8H2,1H3,(H,14,15).
What are the key properties of 4-[(cyclopropylamino)methyl]-5-methyl-N-morpholin-4-yl-1H-pyrazole-3-sulfonamide?
4-[(cyclopropylamino)methyl]-5-methyl-N-morpholin-4-yl-1H-pyrazole-3-sulfonamide has a molecular weight of 315.40 g/mol, XLogP of -0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-5-methyl-N-morpholin-4-yl-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 106075895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).