4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-5-amine

C13H23N5O2S — CID 61138916

IUPAC4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1S(=O)(=O)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C13H23N5O2S/c14-13-12(9-15-16-13)21(19,20)18-7-3-11(4-8-18)10-17-5-1-2-6-17/h9,11H,1-8,10H2,(H3,14,15,16)
InChIKeyCDHVNSYDHDTWDR-UHFFFAOYSA-N
MW313.43 g/mol
LogP0.49
Rot. Bonds4

About 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-5-amine

4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-5-amine (PubChem CID 61138916) has the molecular formula C13H23N5O2S and a molecular weight of 313.43 g/mol. Its IUPAC name is 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-5-amine
PubChem CID61138916
Molecular FormulaC13H23N5O2S
Molecular Weight313.43 g/mol
Exact Mass313.16
IUPAC Name4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1S(=O)(=O)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C13H23N5O2S/c14-13-12(9-15-16-13)21(19,20)18-7-3-11(4-8-18)10-17-5-1-2-6-17/h9,11H,1-8,10H2,(H3,14,15,16)
InChIKeyCDHVNSYDHDTWDR-UHFFFAOYSA-N
XLogP0.49
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-5-amine?
The IUPAC name of 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-5-amine (CID 61138916) is 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-5-amine?
The canonical SMILES for 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-5-amine is Nc1[nH]ncc1S(=O)(=O)N1CCC(CN2CCCC2)CC1.
What is the InChIKey of 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-5-amine?
The InChIKey is CDHVNSYDHDTWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2S/c14-13-12(9-15-16-13)21(19,20)18-7-3-11(4-8-18)10-17-5-1-2-6-17/h9,11H,1-8,10H2,(H3,14,15,16).
What are the key properties of 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-5-amine?
4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-5-amine has a molecular weight of 313.43 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-5-amine is sourced from PubChem (CID 61138916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).