N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide

C19H31N5O2 — CID 139010727

IUPACN-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide
SMILESCC(C)C1N(C(=O)Nc2cnn(CCN3CCOCC3)c2)CC12CCC2
InChIInChI=1S/C19H31N5O2/c1-15(2)17-19(4-3-5-19)14-24(17)18(25)21-16-12-20-23(13-16)7-6-22-8-10-26-11-9-22/h12-13,15,17H,3-11,14H2,1-2H3,(H,21,25)
InChIKeyASUJULCVJGHUFG-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.26
Rot. Bonds5

About N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide

N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide (PubChem CID 139010727) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide
PubChem CID139010727
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC NameN-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide
SMILESCC(C)C1N(C(=O)Nc2cnn(CCN3CCOCC3)c2)CC12CCC2
InChIInChI=1S/C19H31N5O2/c1-15(2)17-19(4-3-5-19)14-24(17)18(25)21-16-12-20-23(13-16)7-6-22-8-10-26-11-9-22/h12-13,15,17H,3-11,14H2,1-2H3,(H,21,25)
InChIKeyASUJULCVJGHUFG-UHFFFAOYSA-N
XLogP2.26
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 136511992
4-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 121419957
(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide
CID 129337598
N-(3-ethylcyclohexyl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide
CID 71849040
4-(carbamoylamino)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 136523469
4-[(dimethylamino)methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 136523458
trans-(1S,2S)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 97081561
1-cyclopentyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1-(oxolan-2-ylmethyl)urea
CID 71861206
1-cyclopentyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 97010472
6-chloro-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyridine-3-carboxamide
CID 136523476
4-(methylsulfonylmethyl)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 136523477
1-[4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]urea
CID 139012192

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide?
The IUPAC name of N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide (CID 139010727) is N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide.
What is the SMILES notation for N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide?
The canonical SMILES for N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide is CC(C)C1N(C(=O)Nc2cnn(CCN3CCOCC3)c2)CC12CCC2.
What is the InChIKey of N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide?
The InChIKey is ASUJULCVJGHUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-15(2)17-19(4-3-5-19)14-24(17)18(25)21-16-12-20-23(13-16)7-6-22-8-10-26-11-9-22/h12-13,15,17H,3-11,14H2,1-2H3,(H,21,25).
What are the key properties of N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide?
N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide is sourced from PubChem (CID 139010727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).