N-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]propanamide

C11H19N5O3S — CID 61107893

IUPACN-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(S(=O)(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C11H19N5O3S/c1-2-10(17)14-8-3-5-16(6-4-8)20(18,19)9-7-13-15-11(9)12/h7-8H,2-6H2,1H3,(H,14,17)(H3,12,13,15)
InChIKeyNUHVTLNXDZXBCD-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.33
Rot. Bonds4

About N-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]propanamide

N-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]propanamide (PubChem CID 61107893) has the molecular formula C11H19N5O3S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]propanamide
PubChem CID61107893
Molecular FormulaC11H19N5O3S
Molecular Weight301.37 g/mol
Exact Mass301.12
IUPAC NameN-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(S(=O)(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C11H19N5O3S/c1-2-10(17)14-8-3-5-16(6-4-8)20(18,19)9-7-13-15-11(9)12/h7-8H,2-6H2,1H3,(H,14,17)(H3,12,13,15)
InChIKeyNUHVTLNXDZXBCD-UHFFFAOYSA-N
XLogP-0.33
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]propanamide?
The IUPAC name of N-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]propanamide (CID 61107893) is N-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]propanamide is CCC(=O)NC1CCN(S(=O)(=O)c2cn[nH]c2N)CC1.
What is the InChIKey of N-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]propanamide?
The InChIKey is NUHVTLNXDZXBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S/c1-2-10(17)14-8-3-5-16(6-4-8)20(18,19)9-7-13-15-11(9)12/h7-8H,2-6H2,1H3,(H,14,17)(H3,12,13,15).
What are the key properties of N-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]propanamide?
N-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]propanamide has a molecular weight of 301.37 g/mol, XLogP of -0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 61107893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).