N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyethylamino)acetamide

C13H21N5O3 — CID 79270069

IUPACN-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1cnn(CC(=O)NC2CC2)c1
InChIInChI=1S/C13H21N5O3/c1-21-5-4-14-7-12(19)17-11-6-15-18(8-11)9-13(20)16-10-2-3-10/h6,8,10,14H,2-5,7,9H2,1H3,(H,16,20)(H,17,19)
InChIKeyOGBLKBLNXSQQFQ-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.66
Rot. Bonds9

About N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyethylamino)acetamide

N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyethylamino)acetamide (PubChem CID 79270069) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyethylamino)acetamide
PubChem CID79270069
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC NameN-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1cnn(CC(=O)NC2CC2)c1
InChIInChI=1S/C13H21N5O3/c1-21-5-4-14-7-12(19)17-11-6-15-18(8-11)9-13(20)16-10-2-3-10/h6,8,10,14H,2-5,7,9H2,1H3,(H,16,20)(H,17,19)
InChIKeyOGBLKBLNXSQQFQ-UHFFFAOYSA-N
XLogP-0.66
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybutanamide
CID 62472501
N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-(ethylamino)propanamide
CID 62836061
2-(2-methoxyethylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 119796081
4-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 63307715
2-(cyclopentylamino)-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide
CID 54928520
N-cyclopropyl-2-[4-(propan-2-ylamino)pyrazol-1-yl]acetamide
CID 60931819
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
CID 119728688
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybenzamide
CID 49055659
2-bromo-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylbutanamide
CID 60933891
2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 55035959
N-cyclopropyl-2-[4-(1-ethoxypropan-2-ylamino)pyrazol-1-yl]acetamide
CID 115997520
4-butoxy-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 49055601

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyethylamino)acetamide (CID 79270069) is N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)Nc1cnn(CC(=O)NC2CC2)c1.
What is the InChIKey of N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyethylamino)acetamide?
The InChIKey is OGBLKBLNXSQQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-21-5-4-14-7-12(19)17-11-6-15-18(8-11)9-13(20)16-10-2-3-10/h6,8,10,14H,2-5,7,9H2,1H3,(H,16,20)(H,17,19).
What are the key properties of N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyethylamino)acetamide?
N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyethylamino)acetamide has a molecular weight of 295.34 g/mol, XLogP of -0.66, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 79270069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).