1-propylsulfonyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide

C12H20N4O3S — CID 61217479

IUPAC1-propylsulfonyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NCc1ccn[nH]1
InChIInChI=1S/C12H20N4O3S/c1-2-8-20(18,19)16-7-3-4-11(16)12(17)13-9-10-5-6-14-15-10/h5-6,11H,2-4,7-9H2,1H3,(H,13,17)(H,14,15)
InChIKeyIFDCXTPZXDVNSW-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.23
Rot. Bonds6

About 1-propylsulfonyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide

1-propylsulfonyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 61217479) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-propylsulfonyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-propylsulfonyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID61217479
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name1-propylsulfonyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NCc1ccn[nH]1
InChIInChI=1S/C12H20N4O3S/c1-2-8-20(18,19)16-7-3-4-11(16)12(17)13-9-10-5-6-14-15-10/h5-6,11H,2-4,7-9H2,1H3,(H,13,17)(H,14,15)
InChIKeyIFDCXTPZXDVNSW-UHFFFAOYSA-N
XLogP0.23
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-propylsulfonyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide (CID 61217479) is 1-propylsulfonyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-propylsulfonyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-propylsulfonyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)NCc1ccn[nH]1.
What is the InChIKey of 1-propylsulfonyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is IFDCXTPZXDVNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-2-8-20(18,19)16-7-3-4-11(16)12(17)13-9-10-5-6-14-15-10/h5-6,11H,2-4,7-9H2,1H3,(H,13,17)(H,14,15).
What are the key properties of 1-propylsulfonyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide?
1-propylsulfonyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 61217479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).