(2R)-2-(1-ethylpyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide

C18H25N5O2 — CID 99827534

IUPAC(2R)-2-(1-ethylpyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide
SMILESCC[C@H](NC(=O)N1CCO[C@H](c2cnn(CC)c2)C1)c1ccncc1
InChIInChI=1S/C18H25N5O2/c1-3-16(14-5-7-19-8-6-14)21-18(24)22-9-10-25-17(13-22)15-11-20-23(4-2)12-15/h5-8,11-12,16-17H,3-4,9-10,13H2,1-2H3,(H,21,24)/t16-,17-/m0/s1
InChIKeyMVSRQJDZDXWIPZ-IRXDYDNUSA-N
MW343.43 g/mol
LogP2.53
Rot. Bonds5

About (2R)-2-(1-ethylpyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide

(2R)-2-(1-ethylpyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide (PubChem CID 99827534) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (2R)-2-(1-ethylpyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-(1-ethylpyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide
PubChem CID99827534
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(2R)-2-(1-ethylpyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide
SMILESCC[C@H](NC(=O)N1CCO[C@H](c2cnn(CC)c2)C1)c1ccncc1
InChIInChI=1S/C18H25N5O2/c1-3-16(14-5-7-19-8-6-14)21-18(24)22-9-10-25-17(13-22)15-11-20-23(4-2)12-15/h5-8,11-12,16-17H,3-4,9-10,13H2,1-2H3,(H,21,24)/t16-,17-/m0/s1
InChIKeyMVSRQJDZDXWIPZ-IRXDYDNUSA-N
XLogP2.53
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Morpholin-4-ylethyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 45829801
N-(1-pyrazol-1-ylpropan-2-yl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 45831714
1-(2-Morpholin-4-ylethyl)-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea
CID 51081546
N-(1-pyrazol-1-ylpropan-2-yl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 51084478
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine
CID 51104772
1-[2-(1-Methylpyrazol-4-yl)ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 53499653
1-Methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 53500487
1-(3-Pyrazol-1-ylpropyl)-3-(1-pyridin-4-ylethyl)urea
CID 53504659
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-pyrazol-1-ylpropanamide
CID 53504873
1-(3-Pyrazol-1-ylpropyl)-3-(1-pyridin-3-ylethyl)urea
CID 53504936
1-(1-Pyrazol-1-ylpropan-2-yl)-3-(2-pyridin-3-ylethyl)urea
CID 53505450
2-ethyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]morpholine-4-carboxamide
CID 53519832

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-ethylpyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide?
The IUPAC name of (2R)-2-(1-ethylpyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide (CID 99827534) is (2R)-2-(1-ethylpyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-(1-ethylpyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide?
The canonical SMILES for (2R)-2-(1-ethylpyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide is CC[C@H](NC(=O)N1CCO[C@H](c2cnn(CC)c2)C1)c1ccncc1.
What is the InChIKey of (2R)-2-(1-ethylpyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide?
The InChIKey is MVSRQJDZDXWIPZ-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-3-16(14-5-7-19-8-6-14)21-18(24)22-9-10-25-17(13-22)15-11-20-23(4-2)12-15/h5-8,11-12,16-17H,3-4,9-10,13H2,1-2H3,(H,21,24)/t16-,17-/m0/s1.
What are the key properties of (2R)-2-(1-ethylpyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide?
(2R)-2-(1-ethylpyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-ethylpyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide is sourced from PubChem (CID 99827534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).