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

C14H22N4O2 — CID 129478448

IUPACN-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESCN1CCO[C@@H](CN(CC2CC2)C(=O)c2cn[nH]c2)C1
InChIInChI=1S/C14H22N4O2/c1-17-4-5-20-13(9-17)10-18(8-11-2-3-11)14(19)12-6-15-16-7-12/h6-7,11,13H,2-5,8-10H2,1H3,(H,15,16)/t13-/m1/s1
InChIKeyQIKMAXMNNHVFKD-CYBMUJFWSA-N
MW278.36 g/mol
LogP0.59
Rot. Bonds5

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

N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 129478448) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID129478448
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESCN1CCO[C@@H](CN(CC2CC2)C(=O)c2cn[nH]c2)C1
InChIInChI=1S/C14H22N4O2/c1-17-4-5-20-13(9-17)10-18(8-11-2-3-11)14(19)12-6-15-16-7-12/h6-7,11,13H,2-5,8-10H2,1H3,(H,15,16)/t13-/m1/s1
InChIKeyQIKMAXMNNHVFKD-CYBMUJFWSA-N
XLogP0.59
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide (CID 129478448) is N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide is CN1CCO[C@@H](CN(CC2CC2)C(=O)c2cn[nH]c2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is QIKMAXMNNHVFKD-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-17-4-5-20-13(9-17)10-18(8-11-2-3-11)14(19)12-6-15-16-7-12/h6-7,11,13H,2-5,8-10H2,1H3,(H,15,16)/t13-/m1/s1.
What are the key properties of N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide?
N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 129478448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).