N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-2-methylpyrazole-3-carboxamide

C15H21N5O — CID 91911718

IUPACN-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-2-methylpyrazole-3-carboxamide
SMILESCc1cnc(CCNC(=O)c2ccnn2C)n1CC1CC1
InChIInChI=1S/C15H21N5O/c1-11-9-17-14(20(11)10-12-3-4-12)6-7-16-15(21)13-5-8-18-19(13)2/h5,8-9,12H,3-4,6-7,10H2,1-2H3,(H,16,21)
InChIKeyDLYLAGMUTYZYBW-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.31
Rot. Bonds6

About N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-2-methylpyrazole-3-carboxamide

N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 91911718) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-2-methylpyrazole-3-carboxamide
PubChem CID91911718
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-2-methylpyrazole-3-carboxamide
SMILESCc1cnc(CCNC(=O)c2ccnn2C)n1CC1CC1
InChIInChI=1S/C15H21N5O/c1-11-9-17-14(20(11)10-12-3-4-12)6-7-16-15(21)13-5-8-18-19(13)2/h5,8-9,12H,3-4,6-7,10H2,1-2H3,(H,16,21)
InChIKeyDLYLAGMUTYZYBW-UHFFFAOYSA-N
XLogP1.31
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-2-methylpyrazole-3-carboxamide (CID 91911718) is N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-2-methylpyrazole-3-carboxamide is Cc1cnc(CCNC(=O)c2ccnn2C)n1CC1CC1.
What is the InChIKey of N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is DLYLAGMUTYZYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11-9-17-14(20(11)10-12-3-4-12)6-7-16-15(21)13-5-8-18-19(13)2/h5,8-9,12H,3-4,6-7,10H2,1-2H3,(H,16,21).
What are the key properties of N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-2-methylpyrazole-3-carboxamide?
N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 91911718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).