N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide

C10H16N4O2 — CID 124508547

IUPACN-[[(2S)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESCN1CCO[C@@H](CNC(=O)c2cn[nH]c2)C1
InChIInChI=1S/C10H16N4O2/c1-14-2-3-16-9(7-14)6-11-10(15)8-4-12-13-5-8/h4-5,9H,2-3,6-7H2,1H3,(H,11,15)(H,12,13)/t9-/m0/s1
InChIKeyKOMLQEHJBDGLDU-VIFPVBQESA-N
MW224.26 g/mol
LogP-0.53
Rot. Bonds3

About N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide

N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 124508547) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID124508547
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-[[(2S)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESCN1CCO[C@@H](CNC(=O)c2cn[nH]c2)C1
InChIInChI=1S/C10H16N4O2/c1-14-2-3-16-9(7-14)6-11-10(15)8-4-12-13-5-8/h4-5,9H,2-3,6-7H2,1H3,(H,11,15)(H,12,13)/t9-/m0/s1
InChIKeyKOMLQEHJBDGLDU-VIFPVBQESA-N
XLogP-0.53
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide (CID 124508547) is N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide is CN1CCO[C@@H](CNC(=O)c2cn[nH]c2)C1.
What is the InChIKey of N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is KOMLQEHJBDGLDU-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N4O2/c1-14-2-3-16-9(7-14)6-11-10(15)8-4-12-13-5-8/h4-5,9H,2-3,6-7H2,1H3,(H,11,15)(H,12,13)/t9-/m0/s1.
What are the key properties of N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide?
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 224.26 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 124508547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).