3-amino-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenyl-1H-pyrazole-5-carboxamide

C18H25N5O2 — CID 131945605

IUPAC3-amino-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenyl-1H-pyrazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NCCN2CCCC(CO)C2)c1-c1ccccc1
InChIInChI=1S/C18H25N5O2/c19-17-15(14-6-2-1-3-7-14)16(21-22-17)18(25)20-8-10-23-9-4-5-13(11-23)12-24/h1-3,6-7,13,24H,4-5,8-12H2,(H,20,25)(H3,19,21,22)
InChIKeyZBGGSMVTLRKMQX-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.09
Rot. Bonds6

About 3-amino-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenyl-1H-pyrazole-5-carboxamide

3-amino-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 131945605) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-amino-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenyl-1H-pyrazole-5-carboxamide
PubChem CID131945605
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name3-amino-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenyl-1H-pyrazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NCCN2CCCC(CO)C2)c1-c1ccccc1
InChIInChI=1S/C18H25N5O2/c19-17-15(14-6-2-1-3-7-14)16(21-22-17)18(25)20-8-10-23-9-4-5-13(11-23)12-24/h1-3,6-7,13,24H,4-5,8-12H2,(H,20,25)(H3,19,21,22)
InChIKeyZBGGSMVTLRKMQX-UHFFFAOYSA-N
XLogP1.09
TPSA107.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenyl-1H-pyrazole-5-carboxamide (CID 131945605) is 3-amino-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenyl-1H-pyrazole-5-carboxamide is Nc1n[nH]c(C(=O)NCCN2CCCC(CO)C2)c1-c1ccccc1.
What is the InChIKey of 3-amino-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is ZBGGSMVTLRKMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c19-17-15(14-6-2-1-3-7-14)16(21-22-17)18(25)20-8-10-23-9-4-5-13(11-23)12-24/h1-3,6-7,13,24H,4-5,8-12H2,(H,20,25)(H3,19,21,22).
What are the key properties of 3-amino-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenyl-1H-pyrazole-5-carboxamide?
3-amino-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.09, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 131945605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).