3-amino-4-chloro-N-[1-(2-hydroxyethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide

C11H18ClN5O2 — CID 77095639

IUPAC3-amino-4-chloro-N-[1-(2-hydroxyethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NC2CCN(CCO)CC2)c1Cl
InChIInChI=1S/C11H18ClN5O2/c12-8-9(15-16-10(8)13)11(19)14-7-1-3-17(4-2-7)5-6-18/h7,18H,1-6H2,(H,14,19)(H3,13,15,16)
InChIKeyROGWZMGQTBIVNG-UHFFFAOYSA-N
MW287.75 g/mol
LogP-0.17
Rot. Bonds4

About 3-amino-4-chloro-N-[1-(2-hydroxyethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide

3-amino-4-chloro-N-[1-(2-hydroxyethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 77095639) has the molecular formula C11H18ClN5O2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 3-amino-4-chloro-N-[1-(2-hydroxyethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-[1-(2-hydroxyethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
PubChem CID77095639
Molecular FormulaC11H18ClN5O2
Molecular Weight287.75 g/mol
Exact Mass287.11
IUPAC Name3-amino-4-chloro-N-[1-(2-hydroxyethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NC2CCN(CCO)CC2)c1Cl
InChIInChI=1S/C11H18ClN5O2/c12-8-9(15-16-10(8)13)11(19)14-7-1-3-17(4-2-7)5-6-18/h7,18H,1-6H2,(H,14,19)(H3,13,15,16)
InChIKeyROGWZMGQTBIVNG-UHFFFAOYSA-N
XLogP-0.17
TPSA107.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-[1-(2-hydroxyethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-4-chloro-N-[1-(2-hydroxyethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide (CID 77095639) is 3-amino-4-chloro-N-[1-(2-hydroxyethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-4-chloro-N-[1-(2-hydroxyethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-4-chloro-N-[1-(2-hydroxyethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide is Nc1n[nH]c(C(=O)NC2CCN(CCO)CC2)c1Cl.
What is the InChIKey of 3-amino-4-chloro-N-[1-(2-hydroxyethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is ROGWZMGQTBIVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O2/c12-8-9(15-16-10(8)13)11(19)14-7-1-3-17(4-2-7)5-6-18/h7,18H,1-6H2,(H,14,19)(H3,13,15,16).
What are the key properties of 3-amino-4-chloro-N-[1-(2-hydroxyethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
3-amino-4-chloro-N-[1-(2-hydroxyethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 287.75 g/mol, XLogP of -0.17, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-[1-(2-hydroxyethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 77095639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).