(3-amino-1H-pyrazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone

C10H16N4O2 — CID 64526002

IUPAC(3-amino-1H-pyrazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESNc1cc(C(=O)N2CCC(CO)CC2)[nH]n1
InChIInChI=1S/C10H16N4O2/c11-9-5-8(12-13-9)10(16)14-3-1-7(6-15)2-4-14/h5,7,15H,1-4,6H2,(H3,11,12,13)
InChIKeyNPFPNEGXPHOHAE-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.16
Rot. Bonds2

About (3-amino-1H-pyrazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone

(3-amino-1H-pyrazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 64526002) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (3-amino-1H-pyrazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-1H-pyrazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID64526002
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name(3-amino-1H-pyrazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESNc1cc(C(=O)N2CCC(CO)CC2)[nH]n1
InChIInChI=1S/C10H16N4O2/c11-9-5-8(12-13-9)10(16)14-3-1-7(6-15)2-4-14/h5,7,15H,1-4,6H2,(H3,11,12,13)
InChIKeyNPFPNEGXPHOHAE-UHFFFAOYSA-N
XLogP-0.16
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-pyrazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-amino-1H-pyrazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone (CID 64526002) is (3-amino-1H-pyrazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-amino-1H-pyrazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-amino-1H-pyrazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone is Nc1cc(C(=O)N2CCC(CO)CC2)[nH]n1.
What is the InChIKey of (3-amino-1H-pyrazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is NPFPNEGXPHOHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-9-5-8(12-13-9)10(16)14-3-1-7(6-15)2-4-14/h5,7,15H,1-4,6H2,(H3,11,12,13).
What are the key properties of (3-amino-1H-pyrazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
(3-amino-1H-pyrazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 224.26 g/mol, XLogP of -0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1H-pyrazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 64526002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).