N-(1,3-dihydropyrrol-2-ylidene)-N'-[1-[1-[(2S)-pentan-2-yl]pyrazol-4-yl]ethyl]methanimidamide

C15H23N5 — CID 146581139

IUPACN-(1,3-dihydropyrrol-2-ylidene)-N'-[1-[1-[(2S)-pentan-2-yl]pyrazol-4-yl]ethyl]methanimidamide
SMILESCCC[C@H](C)n1cc(C(C)/N=C/N=C2\CC=CN2)cn1
InChIInChI=1S/C15H23N5/c1-4-6-12(2)20-10-14(9-19-20)13(3)17-11-18-15-7-5-8-16-15/h5,8-13H,4,6-7H2,1-3H3,(H,16,17,18)/t12-,13?/m0/s1
InChIKeyFNHLHPDVYVGQRN-UEWDXFNNSA-N
MW273.38 g/mol
LogP3.24
Rot. Bonds6

About N-(1,3-dihydropyrrol-2-ylidene)-N'-[1-[1-[(2S)-pentan-2-yl]pyrazol-4-yl]ethyl]methanimidamide

N-(1,3-dihydropyrrol-2-ylidene)-N'-[1-[1-[(2S)-pentan-2-yl]pyrazol-4-yl]ethyl]methanimidamide (PubChem CID 146581139) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(1,3-dihydropyrrol-2-ylidene)-N'-[1-[1-[(2S)-pentan-2-yl]pyrazol-4-yl]ethyl]methanimidamide.

Molecular Properties

Compound NameN-(1,3-dihydropyrrol-2-ylidene)-N'-[1-[1-[(2S)-pentan-2-yl]pyrazol-4-yl]ethyl]methanimidamide
PubChem CID146581139
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-(1,3-dihydropyrrol-2-ylidene)-N'-[1-[1-[(2S)-pentan-2-yl]pyrazol-4-yl]ethyl]methanimidamide
SMILESCCC[C@H](C)n1cc(C(C)/N=C/N=C2\CC=CN2)cn1
InChIInChI=1S/C15H23N5/c1-4-6-12(2)20-10-14(9-19-20)13(3)17-11-18-15-7-5-8-16-15/h5,8-13H,4,6-7H2,1-3H3,(H,16,17,18)/t12-,13?/m0/s1
InChIKeyFNHLHPDVYVGQRN-UEWDXFNNSA-N
XLogP3.24
TPSA54.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydropyrrol-2-ylidene)-N'-[1-[1-[(2S)-pentan-2-yl]pyrazol-4-yl]ethyl]methanimidamide?
The IUPAC name of N-(1,3-dihydropyrrol-2-ylidene)-N'-[1-[1-[(2S)-pentan-2-yl]pyrazol-4-yl]ethyl]methanimidamide (CID 146581139) is N-(1,3-dihydropyrrol-2-ylidene)-N'-[1-[1-[(2S)-pentan-2-yl]pyrazol-4-yl]ethyl]methanimidamide.
What is the SMILES notation for N-(1,3-dihydropyrrol-2-ylidene)-N'-[1-[1-[(2S)-pentan-2-yl]pyrazol-4-yl]ethyl]methanimidamide?
The canonical SMILES for N-(1,3-dihydropyrrol-2-ylidene)-N'-[1-[1-[(2S)-pentan-2-yl]pyrazol-4-yl]ethyl]methanimidamide is CCC[C@H](C)n1cc(C(C)/N=C/N=C2\CC=CN2)cn1.
What is the InChIKey of N-(1,3-dihydropyrrol-2-ylidene)-N'-[1-[1-[(2S)-pentan-2-yl]pyrazol-4-yl]ethyl]methanimidamide?
The InChIKey is FNHLHPDVYVGQRN-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H23N5/c1-4-6-12(2)20-10-14(9-19-20)13(3)17-11-18-15-7-5-8-16-15/h5,8-13H,4,6-7H2,1-3H3,(H,16,17,18)/t12-,13?/m0/s1.
What are the key properties of N-(1,3-dihydropyrrol-2-ylidene)-N'-[1-[1-[(2S)-pentan-2-yl]pyrazol-4-yl]ethyl]methanimidamide?
N-(1,3-dihydropyrrol-2-ylidene)-N'-[1-[1-[(2S)-pentan-2-yl]pyrazol-4-yl]ethyl]methanimidamide has a molecular weight of 273.38 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydropyrrol-2-ylidene)-N'-[1-[1-[(2S)-pentan-2-yl]pyrazol-4-yl]ethyl]methanimidamide is sourced from PubChem (CID 146581139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).