N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(4-nitrophenyl)propanamide

C19H21N5O3 — CID 90620614

IUPACN-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(4-nitrophenyl)propanamide
SMILESCc1cc2ncc(CCCNC(=O)CCc3ccc([N+](=O)[O-])cc3)cn2n1
InChIInChI=1S/C19H21N5O3/c1-14-11-18-21-12-16(13-23(18)22-14)3-2-10-20-19(25)9-6-15-4-7-17(8-5-15)24(26)27/h4-5,7-8,11-13H,2-3,6,9-10H2,1H3,(H,20,25)
InChIKeyFLRGGJAAUXZLRR-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.63
Rot. Bonds8

About N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(4-nitrophenyl)propanamide

N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(4-nitrophenyl)propanamide (PubChem CID 90620614) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(4-nitrophenyl)propanamide.

Molecular Properties

Compound NameN-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(4-nitrophenyl)propanamide
PubChem CID90620614
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC NameN-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(4-nitrophenyl)propanamide
SMILESCc1cc2ncc(CCCNC(=O)CCc3ccc([N+](=O)[O-])cc3)cn2n1
InChIInChI=1S/C19H21N5O3/c1-14-11-18-21-12-16(13-23(18)22-14)3-2-10-20-19(25)9-6-15-4-7-17(8-5-15)24(26)27/h4-5,7-8,11-13H,2-3,6,9-10H2,1H3,(H,20,25)
InChIKeyFLRGGJAAUXZLRR-UHFFFAOYSA-N
XLogP2.63
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide
CID 90620660
2-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide
CID 90620689
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 73168295
6-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]hexanamide
CID 90620619
2-benzylsulfanyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide
CID 90620539
2-(4-fluorophenoxy)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide
CID 90620524
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-naphthalen-1-ylacetamide
CID 90620692
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-pyrazol-1-ylacetamide
CID 90620641
2,4-dichloro-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzamide
CID 90620671
N-[3-(4-nitrophenyl)propyl]acetamide
CID 58774168
1-(2-ethoxyphenyl)-3-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]urea
CID 90620739
3-amino-N-[4-(4-nitrophenyl)butyl]propanamide
CID 119320506

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(4-nitrophenyl)propanamide?
The IUPAC name of N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(4-nitrophenyl)propanamide (CID 90620614) is N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(4-nitrophenyl)propanamide.
What is the SMILES notation for N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(4-nitrophenyl)propanamide?
The canonical SMILES for N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(4-nitrophenyl)propanamide is Cc1cc2ncc(CCCNC(=O)CCc3ccc([N+](=O)[O-])cc3)cn2n1.
What is the InChIKey of N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(4-nitrophenyl)propanamide?
The InChIKey is FLRGGJAAUXZLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-14-11-18-21-12-16(13-23(18)22-14)3-2-10-20-19(25)9-6-15-4-7-17(8-5-15)24(26)27/h4-5,7-8,11-13H,2-3,6,9-10H2,1H3,(H,20,25).
What are the key properties of N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(4-nitrophenyl)propanamide?
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(4-nitrophenyl)propanamide has a molecular weight of 367.41 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(4-nitrophenyl)propanamide is sourced from PubChem (CID 90620614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).