4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrrole-2-carboxamide

C14H21N5O — CID 61114885

IUPAC4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)N(C)Cc1cnn(C)c1
InChIInChI=1S/C14H21N5O/c1-4-5-19-10-12(15)6-13(19)14(20)17(2)8-11-7-16-18(3)9-11/h6-7,9-10H,4-5,8,15H2,1-3H3
InChIKeyVRCPPHOYNMNZOE-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.49
Rot. Bonds5

About 4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrrole-2-carboxamide

4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrrole-2-carboxamide (PubChem CID 61114885) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrrole-2-carboxamide
PubChem CID61114885
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)N(C)Cc1cnn(C)c1
InChIInChI=1S/C14H21N5O/c1-4-5-19-10-12(15)6-13(19)14(20)17(2)8-11-7-16-18(3)9-11/h6-7,9-10H,4-5,8,15H2,1-3H3
InChIKeyVRCPPHOYNMNZOE-UHFFFAOYSA-N
XLogP1.49
TPSA69.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
CID 43643682
3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61139345
4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide
CID 61140816
3-amino-4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 54905632
4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 43643888
4-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide
CID 79385261
4-amino-N-(5-hydroxypentyl)-N-methyl-1-propylpyrrole-2-carboxamide
CID 107197417
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
(1-ethylpyrazol-4-yl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 62127870
5-amino-2,3-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 107184567
2-amino-4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 63110187
5-amino-2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61114879

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrrole-2-carboxamide (CID 61114885) is 4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)N(C)Cc1cnn(C)c1.
What is the InChIKey of 4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrrole-2-carboxamide?
The InChIKey is VRCPPHOYNMNZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-4-5-19-10-12(15)6-13(19)14(20)17(2)8-11-7-16-18(3)9-11/h6-7,9-10H,4-5,8,15H2,1-3H3.
What are the key properties of 4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrrole-2-carboxamide?
4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrrole-2-carboxamide has a molecular weight of 275.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 61114885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).